UCSF

ZINC19767864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 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) 1.86 6.77 -56.95 3 4 1 58 287.412 4
Lo Low (pH 4.5-6) 1.86 7.22 -82.52 4 4 2 59 288.42 4

Activity (Go SEA)

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