UCSF

ZINC43403331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.70 2.59 -12.33 3 4 0 58 285.8 3
Mid Mid (pH 6-8) 0.70 3.89 -56.13 4 4 1 63 286.808 3

Activity (Go SEA)

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