UCSF

ZINC36614983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 24 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) 0.85 4.11 -14.08 0 7 0 73 361.418 5
Lo Low (pH 4.5-6) 0.85 4.24 -37.39 1 7 1 74 362.426 5

Activity (Go SEA)

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