UCSF

ZINC37980635

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.83 7.84 -41.17 2 3 1 34 286.733 5
Mid Mid (pH 6-8) 2.83 6.78 -6.94 1 3 0 30 285.725 5
Lo Low (pH 4.5-6) 2.83 8.22 -116.97 3 3 2 36 287.741 5

Activity (Go SEA)

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