UCSF

ZINC34476186

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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 3.14 -25.96 3 3 1 49 189.238 1
Mid Mid (pH 6-8) 1.72 2.75 -7.92 2 3 0 48 188.23 1

Activity (Go SEA)

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