UCSF

ZINC34547995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.23 -0.27 -94.61 8 6 2 113 274.409 8
Hi High (pH 8-9.5) -1.23 -0.88 -12.02 6 6 0 110 272.393 8
Mid Mid (pH 6-8) -1.23 -0.61 -50.03 7 6 1 112 273.401 8

Activity (Go SEA)

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