UCSF

ZINC41655125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 3.62 7.1 -52.77 0 4 -1 62 258.297 4
Lo Low (pH 4.5-6) 3.62 7.49 -46.85 1 4 0 63 259.305 4

Activity (Go SEA)

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