UCSF

ZINC19510615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) -0.62 3.22 -45.25 5 5 1 86 284.339 4
Mid Mid (pH 6-8) -0.62 2.87 -13.44 4 5 0 84 283.331 4

Activity (Go SEA)

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