UCSF

ZINC02102052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 28 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) 0.84 9.88 -62.02 1 7 -1 109 380.376 7

Activity (Go SEA)

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