UCSF

ZINC19919284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 1.72 -0.17 -42.07 4 4 1 60 239.339 7
Hi High (pH 8-9.5) 1.72 0.62 -33.96 3 4 0 63 238.331 7
Mid Mid (pH 6-8) 1.72 0.68 -39.37 4 4 1 57 239.339 7
Lo Low (pH 4.5-6) 1.72 2.15 -114.93 5 4 2 61 240.347 7

Activity (Go SEA)

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