UCSF

ZINC31919688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) -0.05 3.6 -10.17 2 3 0 43 215.178 2
Lo Low (pH 4.5-6) -0.05 3.93 -53.77 3 3 1 45 216.186 2
Lo Low (pH 4.5-6) -0.05 4.05 -30.36 3 3 1 45 216.186 2
Lo Low (pH 4.5-6) -0.05 4.38 -107.92 4 3 2 46 217.194 2

Activity (Go SEA)

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