UCSF

ZINC04820102

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 31 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) 3.35 8.66 -59.5 0 7 -1 92 418.425 8
Lo Low (pH 4.5-6) 3.35 7.91 -12.79 1 7 0 89 419.433 8

Activity (Go SEA)

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