UCSF

ZINC05519991

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 25 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) 5.12 9.59 -46.96 0 4 -1 47 350.467 5
Lo Low (pH 4.5-6) 5.12 10.31 -14.39 1 4 0 45 351.475 5

Activity (Go SEA)

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