UCSF

ZINC49400077

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 34 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) 3.25 12.6 -20.08 1 9 0 88 477.956 5

Activity (Go SEA)

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