UCSF

ZINC34652405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) -1.60 3.09 -20.08 0 6 0 68 252.318 4
Mid Mid (pH 6-8) -1.60 5.25 -58.61 1 6 1 69 253.326 4

Activity (Go SEA)

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