UCSF

ZINC44727212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.01 0.28 -44.7 4 5 1 75 233.332 10
Mid Mid (pH 6-8) 0.01 -0.01 -8.31 3 5 0 74 232.324 10

Activity (Go SEA)

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