UCSF

ZINC02146004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 31 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) 1.18 -0.58 -20.37 2 8 0 109 418.453 6

Activity (Go SEA)

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