UCSF

ZINC00808462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 1.12 1.89 -55.04 1 8 1 83 362.454 4
Mid Mid (pH 6-8) 1.12 2.11 -132.96 2 8 2 84 363.462 4

Activity (Go SEA)

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