UCSF

ZINC37010352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.64 3.87 -52.99 4 4 1 64 272.372 3
Hi High (pH 8-9.5) 1.64 3.54 -8.2 3 4 0 62 271.364 3
Mid Mid (pH 6-8) 1.64 4.31 -102.91 5 4 2 65 273.38 3

Activity (Go SEA)

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