UCSF

ZINC38028278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 18 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) 3.19 7.81 -38.16 2 2 1 20 247.406 5
Mid Mid (pH 6-8) 3.19 8.5 -29.19 2 2 1 16 247.406 5
Lo Low (pH 4.5-6) 3.19 9.72 -117.77 3 2 2 21 248.414 5

Activity (Go SEA)

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