UCSF

ZINC19979886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 0.99 2.6 -51.54 3 6 1 77 300.404 4
Mid Mid (pH 6-8) 0.99 0.34 -10.09 2 6 0 76 299.396 4

Activity (Go SEA)

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