UCSF

ZINC42823491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) -0.79 -2.4 -46.74 5 6 1 95 230.288 5
Hi High (pH 8-9.5) -0.79 -2.81 -9.5 4 6 0 93 229.28 5

Activity (Go SEA)

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