UCSF

ZINC06295827

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 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) 2.37 4.21 -55.83 2 7 -1 98 382.878 8
Lo Low (pH 4.5-6) 2.37 4.35 -21.14 3 7 0 96 383.886 8

Activity (Go SEA)

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