UCSF

ZINC45650814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.07 1.9 -40.99 2 4 1 32 256.414 6
Hi High (pH 8-9.5) 1.07 0.71 -2.87 1 4 0 28 255.406 6
Mid Mid (pH 6-8) 1.07 6.59 -194.59 4 4 3 35 258.43 6
Mid Mid (pH 6-8) 1.07 5.4 -80.39 3 4 2 30 257.422 6
Mid Mid (pH 6-8) 1.07 3.13 -32.09 2 4 1 29 256.414 6
Lo Low (pH 4.5-6) 1.07 4.17 -107.68 3 4 2 34 257.422 6

Activity (Go SEA)

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