UCSF

ZINC41160734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 11 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 4.35 -111.6 4 2 2 32 160.305 6
Mid Mid (pH 6-8) 1.15 3.96 -30.02 3 2 1 30 159.297 6
Mid Mid (pH 6-8) 1.15 2.16 -41.34 3 2 1 31 159.297 6

Activity (Go SEA)

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