UCSF

ZINC65319295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 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) 4.83 11.83 -16.03 1 6 0 57 425.554 9
Lo Low (pH 4.5-6) 4.83 11.89 -43.15 2 6 1 62 426.562 9

Activity (Go SEA)

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