UCSF

ZINC49311629

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) -0.87 3.44 -39.72 2 4 0 66 215.171 7
Hi High (pH 8-9.5) -0.87 2.18 -51.1 1 4 -1 61 214.163 7

Activity (Go SEA)

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