UCSF

ZINC17994427

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 18 Yes

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) 3.78 6.08 -11.62 1 3 0 46 256.692 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
THER-2-B Thermolysin (cluster #2 Of 3), Bacterial Bacteria 1250 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THER_BACTH P00800 Thermolysin, Bacth 1250 0.46 Binding ≤ 10μM

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