UCSF

ZINC43396108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.45 2.76 -17.91 4 5 0 85 278.381 3
Mid Mid (pH 6-8) 0.45 3.18 -44.45 5 5 1 86 279.389 3

Activity (Go SEA)

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