UCSF

ZINC41679059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 2.37 3.65 -5.68 1 3 0 38 264.144 4
Lo Low (pH 4.5-6) 2.37 4.9 -39.29 2 3 1 43 265.152 4

Activity (Go SEA)

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