UCSF

ZINC34885229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 1.62 4.15 -40.05 1 9 -1 116 483.493 5
Lo Low (pH 4.5-6) 1.62 4.03 -15.47 2 9 0 113 484.501 5

Activity (Go SEA)

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