UCSF

ZINC44417356

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 0.68 2.99 -29.04 2 4 1 45 197.258 7
Mid Mid (pH 6-8) 0.68 2.52 -7.61 1 4 0 43 196.25 7

Activity (Go SEA)

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