UCSF

ZINC06290411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 22 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) 2.80 -2.67 -21.98 3 5 0 81 363.211 5

Activity (Go SEA)

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