UCSF

ZINC44648457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.42 5.46 -44.38 3 5 1 62 251.354 7
Hi High (pH 8-9.5) 1.42 4.1 -9.16 2 5 0 57 250.346 7
Mid Mid (pH 6-8) 1.42 5.8 -86.89 4 5 2 63 252.362 7

Activity (Go SEA)

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