UCSF

ZINC37266158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) -0.50 5.84 -35.66 3 3 1 40 249.378 4
Hi High (pH 8-9.5) -0.50 3.69 -3.39 2 3 0 38 248.37 4
Mid Mid (pH 6-8) -0.50 6.2 -131.94 4 3 2 41 250.386 4
Mid Mid (pH 6-8) -0.50 4.28 -42.67 3 3 1 40 249.378 4

Activity (Go SEA)

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