UCSF

ZINC20091805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.15 2.97 -41.77 3 5 1 55 269.365 8
Hi High (pH 8-9.5) 1.15 2.93 -75.96 2 5 0 61 268.357 8
Mid Mid (pH 6-8) 1.15 2.04 -51.35 3 5 1 59 269.365 8

Activity (Go SEA)

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