UCSF

ZINC45693834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.55 6.92 -32.62 2 4 1 34 239.387 7
Mid Mid (pH 6-8) 1.55 4.87 -34.39 2 4 1 38 239.387 7
Mid Mid (pH 6-8) 1.55 6.53 -107.7 3 4 2 39 240.395 7

Activity (Go SEA)

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