UCSF

ZINC05549707

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) -0.94 0.84 -48.44 5 8 1 115 267.313 6
Lo Low (pH 4.5-6) -0.94 1.25 -95.62 6 8 2 116 268.321 6
Lo Low (pH 4.5-6) -0.94 -3.33 -84.77 6 8 2 116 268.321 6

Activity (Go SEA)

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