UCSF

ZINC40567616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 17 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) 4.93 9.57 -4.7 0 1 0 9 224.303 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80963-1-O HNO 97 Cell Lines (cluster #1 Of 1), Other Other 300 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80963 Z80963 HNO 97 Cell Lines 300 0.54 Functional ≤ 10μM

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