UCSF

ZINC05710318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 26 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) 4.72 10.76 -11.11 1 5 0 59 354.45 7
Lo Low (pH 4.5-6) 4.72 11.54 -26.81 2 5 0 60 355.458 7

Activity (Go SEA)

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