UCSF

ZINC42947704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 2.66 8.39 -104.98 4 3 2 47 279.815 5
Hi High (pH 8-9.5) 2.66 7.53 -6.7 2 3 0 44 277.799 5
Mid Mid (pH 6-8) 2.66 7.84 -54.75 3 3 1 45 278.807 5

Activity (Go SEA)

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