UCSF

ZINC00415757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.48 1.91 -10.26 0 5 0 57 335.425 7
Lo Low (pH 4.5-6) 3.48 2.05 -33.38 1 5 1 58 336.433 7

Activity (Go SEA)

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