UCSF

ZINC29912153

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 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) 1.89 10.12 -16.95 1 9 0 104 427.468 6
Mid Mid (pH 6-8) 1.89 10.6 -41.3 2 9 1 105 428.476 6

Activity (Go SEA)

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