UCSF

ZINC04824265

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) -0.77 -4.36 -16.19 5 9 0 140 281.272 2
Lo Low (pH 4.5-6) -0.77 -3.94 -35.2 6 9 1 141 282.28 2

Activity (Go SEA)

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