UCSF

ZINC42409478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 10 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) 1.03 2.64 -35.45 2 2 1 20 145.27 6
Mid Mid (pH 6-8) 1.03 4.96 -105.68 3 2 2 21 146.278 6

Activity (Go SEA)

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