UCSF

ZINC09547098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 24 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) 2.95 5.63 -10.18 1 5 0 60 339.42 3
Ref Reference (pH 7) 2.77 8.06 -8.61 1 5 0 56 339.42 3

Activity (Go SEA)

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