UCSF

ZINC05156524

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 29 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) 4.63 11.68 -9.04 1 5 0 62 413.518 7
Lo Low (pH 4.5-6) 0.96 11.7 -30.89 2 5 1 61 414.526 8

Activity (Go SEA)

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