UCSF

ZINC41675781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 1.66 3.78 -7.02 1 3 0 38 199.275 4
Lo Low (pH 4.5-6) 1.66 5 -35.85 2 3 1 43 200.283 4

Activity (Go SEA)

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