UCSF

ZINC41649744

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 8.4 -43.96 2 3 1 34 414.165 3
Hi High (pH 8-9.5) 3.48 8.14 -7.74 1 3 0 30 413.157 3
Lo Low (pH 4.5-6) 3.48 8.56 -108.9 3 3 2 36 415.173 3

Activity (Go SEA)

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