UCSF

ZINC00035451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 15 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) 0.96 3.85 -33.3 2 3 1 38 207.297 3
Lo Low (pH 4.5-6) 0.96 4.14 -88.64 3 3 2 39 208.305 3

Activity (Go SEA)

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