UCSF

ZINC00428249

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 2.29 3.05 -10.94 1 4 0 59 268.725 3
Lo Low (pH 4.5-6) 2.29 3.33 -43.25 2 4 1 60 269.733 3

Activity (Go SEA)

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