UCSF

ZINC42320681

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 11 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) 1.24 5.25 -102.39 3 2 2 21 158.289 4
Mid Mid (pH 6-8) 1.24 3.11 -33.51 2 2 1 20 157.281 4
Mid Mid (pH 6-8) 1.24 4.06 -30.89 2 2 1 16 157.281 4

Activity (Go SEA)

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