UCSF

ZINC09283279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 3.50 8.96 -26.58 2 9 0 123 426.454 9
Hi High (pH 8-9.5) 3.50 8.81 -55.15 1 9 -1 122 425.446 9

Activity (Go SEA)

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