UCSF

ZINC05974906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 25 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) 1.43 6.26 -144.92 2 6 -2 112 332.315 2
Mid Mid (pH 6-8) 2.73 -4.51 -22.92 4 6 0 106 334.331 2

Activity (Go SEA)

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