UCSF

ZINC05332138

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 17 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) 1.95 6.54 -9.38 0 3 0 43 223.231 1
Lo Low (pH 4.5-6) 1.95 6.83 -34.7 1 3 1 44 224.239 1

Activity (Go SEA)

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