UCSF

ZINC00538609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 0.47 4.03 -26.97 2 8 0 98 287.279 3
Lo Low (pH 4.5-6) 0.65 4.71 -53.1 3 8 1 103 288.287 3

Activity (Go SEA)

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