UCSF

ZINC37854800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.35 1.56 -112.58 4 5 2 54 289.464 9
Mid Mid (pH 6-8) 0.35 4.43 -103.41 4 5 2 58 289.464 9
Mid Mid (pH 6-8) 0.35 2.1 -74.06 3 5 1 57 288.456 9
Mid Mid (pH 6-8) 0.35 0.14 -32.07 3 5 1 49 288.456 9
Mid Mid (pH 6-8) 0.35 2.46 -80.26 4 5 2 50 289.464 9
Lo Low (pH 4.5-6) 0.35 3.88 -194.53 5 5 3 55 290.472 9

Activity (Go SEA)

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