UCSF

ZINC34962570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 No

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) 0.68 1.07 -51.36 4 4 1 58 246.084 2
Mid Mid (pH 6-8) 0.68 1.8 -46.38 4 4 1 61 246.084 2
Mid Mid (pH 6-8) 0.68 1.27 -5.55 3 4 0 57 245.076 2

Activity (Go SEA)

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