UCSF

ZINC05045361

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 24 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) 4.42 9.76 -12.92 1 4 0 63 336.416 5
Hi High (pH 8-9.5) 4.88 7.79 -49.49 0 4 -1 66 335.408 5
Mid Mid (pH 6-8) 4.42 9.11 -15.94 1 4 0 63 336.416 5

Activity (Go SEA)

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