UCSF

ZINC41679689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.38 5.03 -97.12 5 4 2 61 257.422 8
Hi High (pH 8-9.5) 1.38 4.72 -37.68 4 4 1 60 256.414 8

Activity (Go SEA)

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