UCSF

ZINC26819213

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 0.65 9.12 -88.66 3 5 1 66 348.442 8
Hi High (pH 8-9.5) 1.95 8.71 -70.83 2 5 0 69 347.434 8

Activity (Go SEA)

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