UCSF

ZINC05179571

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 26 No

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) 3.79 10.89 -10.89 0 5 0 69 343.338 4
Lo Low (pH 4.5-6) 3.79 11.36 -42.3 1 5 1 71 344.346 4

Activity (Go SEA)

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