UCSF

ZINC48314338

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 2.47 6.44 -7.11 1 6 0 64 335.448 7
Mid Mid (pH 6-8) 2.47 8.6 -29.33 2 6 1 65 336.456 7

Activity (Go SEA)

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