UCSF

ZINC06002658

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 18 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) -0.69 -2.59 -41.58 4 7 0 123 258.274 6

Activity (Go SEA)

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