UCSF

ZINC26964645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 21 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) 2.45 8.46 -45.59 2 4 1 37 333.283 9
Hi High (pH 8-9.5) 2.45 5.93 -11.34 1 4 0 36 332.275 9

Activity (Go SEA)

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