UCSF

ZINC20720525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 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) 0.92 -0.06 -9.54 3 6 0 90 268.276 0
Mid Mid (pH 6-8) 0.73 2.55 -10.26 3 6 0 87 268.276 0
Mid Mid (pH 6-8) 0.92 -0.08 -11.52 3 6 0 90 268.276 0

Activity (Go SEA)

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