UCSF

ZINC00801795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 4.63 -1.56 -12.82 3 5 0 80 412.462 5
Lo Low (pH 4.5-6) 4.63 -1.42 -27.14 4 5 1 82 413.47 5
Lo Low (pH 4.5-6) 4.63 -1.4 -38.54 4 5 1 82 413.47 5

Activity (Go SEA)

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