UCSF

ZINC36996530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.80 8.16 -28.96 2 2 1 20 279.492 3
Lo Low (pH 4.5-6) 4.80 10.42 -104.05 3 2 2 21 280.5 3

Activity (Go SEA)

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