UCSF

ZINC20189413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 2.99 6.54 -40.59 2 2 1 20 237.411 4
Lo Low (pH 4.5-6) 2.99 8.8 -107.52 3 2 2 21 238.419 4

Activity (Go SEA)

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