UCSF

ZINC36876882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.13 5.11 -45.73 4 4 1 66 274.388 5
Hi High (pH 8-9.5) 1.13 5.42 -28.67 4 4 1 65 274.388 5
Hi High (pH 8-9.5) 1.13 4.85 -7.73 3 4 0 64 273.38 5
Mid Mid (pH 6-8) 1.13 5.68 -118.76 5 4 2 67 275.396 5

Activity (Go SEA)

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