UCSF

ZINC34616565

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 No

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) 0.28 6.17 -91.03 1 6 0 68 353.419 3
Mid Mid (pH 6-8) 0.28 3.81 -57.81 0 6 -1 67 352.411 3
Lo Low (pH 4.5-6) 0.28 7.57 -99.14 2 6 1 69 354.427 3

Activity (Go SEA)

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