UCSF

ZINC35263452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 33 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) 5.61 12.65 -66.27 0 6 -1 86 457.531 5
Lo Low (pH 4.5-6) 5.61 11.91 -17.02 1 6 0 84 458.539 5

Activity (Go SEA)

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