UCSF

ZINC34891854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 20 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) 2.44 7.83 -12.78 3 4 0 64 260.3 2
Mid Mid (pH 6-8) 2.44 8.3 -30.45 4 4 1 65 261.308 2

Activity (Go SEA)

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