UCSF

ZINC34667984

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.02 6.35 -11.01 2 6 0 69 382.508 6
Mid Mid (pH 6-8) 3.02 8.46 -44.9 3 6 1 70 383.516 6
Lo Low (pH 4.5-6) 3.02 8.98 -101.51 4 6 2 71 384.524 6

Activity (Go SEA)

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