UCSF

ZINC37979052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.84 2.96 -41.61 2 3 1 33 183.275 6
Hi High (pH 8-9.5) 0.84 4.09 -35.41 2 3 1 30 183.275 6
Hi High (pH 8-9.5) 0.84 1.61 -3.72 1 3 0 28 182.267 6
Mid Mid (pH 6-8) 0.84 5.43 -112.96 3 3 2 34 184.283 6

Activity (Go SEA)

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