UCSF

ZINC00057400

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 Yes

Popular Name: Methotrimeprazine Methotrimeprazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1236-99-3 , 60-99-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.89 11.01 -39.97 1 3 1 19 329.489 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDR5-1-F Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal Fungi 9000 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDR5_YEAST P33302 Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast 9000 0.31 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )