UCSF

ZINC41730672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.81 8.55 -28.96 2 3 0 57 245.322 6
Hi High (pH 8-9.5) 2.81 7.38 -48.27 1 3 -1 52 244.314 6

Activity (Go SEA)

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