UCSF

ZINC34823178

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 2.46 8.74 -85.65 3 3 2 24 267.392 5
Mid Mid (pH 6-8) 2.46 6.38 -44.14 2 3 1 23 266.384 5

Activity (Go SEA)

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