UCSF

ZINC00485344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 5.29 11.7 -9.93 0 4 0 48 345.398 7
Lo Low (pH 4.5-6) 5.29 11.37 -45.41 1 4 1 50 346.406 7
Lo Low (pH 4.5-6) 5.29 12.05 -43.1 1 4 1 50 346.406 7

Activity (Go SEA)

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