UCSF

ZINC42457063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.93 3.19 -42.6 2 3 1 44 170.28 6
Mid Mid (pH 6-8) 0.93 5.25 -113.12 3 3 2 45 171.288 6

Activity (Go SEA)

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