UCSF

ZINC19408802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 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) 0.66 4.23 -60.04 2 3 0 57 159.229 6

Activity (Go SEA)

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