UCSF

ZINC33895976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.56 6.77 -32.63 4 10 1 117 482.561 6
Mid Mid (pH 6-8) 2.56 6.48 -14.68 3 10 0 115 481.553 6
Mid Mid (pH 6-8) 2.56 8.97 -101.69 5 10 2 118 483.569 6
Lo Low (pH 4.5-6) 2.56 9.01 -105.93 5 10 2 118 483.569 6

Activity (Go SEA)

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