UCSF

ZINC45629405

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.72 8.83 -56.73 1 4 -1 69 278.372 5
Mid Mid (pH 6-8) 2.72 6.8 -13.02 2 4 0 66 279.38 5

Activity (Go SEA)

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