UCSF

ZINC20477682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.21 2.24 -50.8 4 4 1 58 397.131 9
Mid Mid (pH 6-8) 2.21 3.78 -128.37 5 4 2 63 398.139 9
Lo Low (pH 4.5-6) 2.21 2.31 -41.54 4 4 1 58 397.131 9

Activity (Go SEA)

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