UCSF

ZINC06636566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 26 No

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) 3.80 6.13 -16.83 2 7 0 93 353.378 5
Hi High (pH 8-9.5) 3.80 7.14 -64.87 1 7 -1 96 352.37 5

Activity (Go SEA)

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