UCSF

ZINC04822293

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 19 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) -1.31 -7.46 -17.03 6 9 0 150 267.245 2
Lo Low (pH 4.5-6) -1.31 -7.04 -35.95 7 9 1 152 268.253 2
Lo Low (pH 4.5-6) -1.31 -11.12 -40.38 7 9 1 152 268.253 2

Activity (Go SEA)

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