UCSF

ZINC41731426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 14 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) 0.37 6.36 -31.88 2 3 0 57 199.294 7
Hi High (pH 8-9.5) 0.37 5.03 -42.12 1 3 -1 52 198.286 7

Activity (Go SEA)

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