UCSF

ZINC01052668

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 32 No

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) 3.40 8.16 -62.9 0 8 -1 109 449.464 5
Mid Mid (pH 6-8) 2.82 -0.25 -21.84 0 8 0 103 450.472 5
Lo Low (pH 4.5-6) 3.40 7.98 -30.61 2 8 1 107 451.48 5
Lo Low (pH 4.5-6) 3.40 8.73 -48.76 1 8 0 110 450.472 5

Activity (Go SEA)

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