UCSF

ZINC43446660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 0.87 4.35 -33.69 3 6 1 73 279.364 5
Mid Mid (pH 6-8) 0.87 6.48 -87.11 4 6 2 74 280.372 5

Activity (Go SEA)

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