UCSF

ZINC58151851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 23 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) 3.31 10.83 -46.58 2 3 1 34 306.433 6
Hi High (pH 8-9.5) 3.31 9.46 -7.43 1 3 0 30 305.425 6

Activity (Go SEA)

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