UCSF

ZINC05529738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 4.34 6.67 -11.22 1 6 0 73 370.43 5
Lo Low (pH 4.5-6) 3.85 6.11 -43.14 0 6 -1 72 369.422 6
Lo Low (pH 4.5-6) 3.85 6.62 -17.47 1 6 0 70 370.43 6

Activity (Go SEA)

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