UCSF

ZINC26820900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 10 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) 0.88 3.35 -30.96 1 2 1 8 141.238 2
Mid Mid (pH 6-8) 0.88 3.42 -32.91 1 2 1 8 141.238 2
Mid Mid (pH 6-8) 0.88 0.95 -1.64 0 2 0 6 140.23 2

Activity (Go SEA)

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