UCSF

ZINC37109816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.08 3.54 -105.06 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 1.08 3.19 -32.88 3 3 1 34 226.388 4
Hi High (pH 8-9.5) 1.08 1.13 -41.02 3 3 1 34 226.388 4
Mid Mid (pH 6-8) 1.08 0.46 -117.97 4 3 2 35 227.396 4
Lo Low (pH 4.5-6) 1.08 4.46 -212.71 5 3 3 37 228.404 4

Activity (Go SEA)

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