UCSF

ZINC34478838

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 2.11 4.08 -20.77 2 9 0 106 481.549 11
Hi High (pH 8-9.5) 2.57 1.5 -61.54 1 9 -1 109 480.541 11
Mid Mid (pH 6-8) 2.11 6.35 -49.19 3 9 1 107 482.557 11

Activity (Go SEA)

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