UCSF

ZINC40748648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 1.65 4.39 -35.25 2 4 1 32 282.452 6
Mid Mid (pH 6-8) 1.65 6.66 -91.67 3 4 2 34 283.46 6
Mid Mid (pH 6-8) 1.65 4.68 -103.46 3 4 2 34 283.46 6
Lo Low (pH 4.5-6) 1.65 6.97 -200.16 4 4 3 35 284.468 6

Activity (Go SEA)

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