UCSF

ZINC40227479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 1.53 4.12 -126.05 5 2 2 44 257.175 3
Mid Mid (pH 6-8) 1.53 2.98 -44.42 4 2 1 40 256.167 3

Activity (Go SEA)

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