UCSF

ZINC44694189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) -0.79 2.9 -41.25 2 6 1 55 288.412 9
Hi High (pH 8-9.5) -0.79 0.71 -11.88 1 6 0 54 287.404 9
Mid Mid (pH 6-8) -0.79 1.97 -41.48 2 6 1 59 288.412 9
Lo Low (pH 4.5-6) -0.79 4.16 -105.12 3 6 2 60 289.42 9

Activity (Go SEA)

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