UCSF

ZINC41649737

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.48 9.22 -42.45 2 3 1 34 414.165 3
Hi High (pH 8-9.5) 3.48 8.36 -5.89 1 3 0 30 413.157 3
Lo Low (pH 4.5-6) 3.48 9.38 -107.73 3 3 2 36 415.173 3

Activity (Go SEA)

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