UCSF

ZINC11677857

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2008 34 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) 1.38 5.52 -13.88 3 10 0 129 483.96 9
Mid Mid (pH 6-8) 1.38 5.96 -34.37 4 10 1 130 484.968 9
Mid Mid (pH 6-8) 1.38 3.59 -35.92 4 10 1 130 484.968 9

Activity (Go SEA)

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