UCSF

ZINC29395798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 21 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) 3.69 7.2 -42.65 3 4 1 54 293.431 7
Hi High (pH 8-9.5) 3.69 8.06 -74.9 2 4 0 57 292.423 7

Activity (Go SEA)

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