UCSF

ZINC12463133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 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) 7.31 15.49 -12.99 0 4 0 36 428.576 9
Mid Mid (pH 6-8) 7.31 15.91 -33.27 1 4 1 38 429.584 9

Activity (Go SEA)

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