UCSF

ZINC36273635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 3.25 8.68 -39.53 3 6 1 66 351.43 3
Hi High (pH 8-9.5) 3.25 7.52 -10.34 2 6 0 65 350.422 3
Mid Mid (pH 6-8) 3.25 8.98 -94.68 4 6 2 67 352.438 3
Mid Mid (pH 6-8) 3.25 6.78 -29.44 3 6 1 66 351.43 3

Activity (Go SEA)

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