UCSF

ZINC61993267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 17 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) 0.71 5.3 -37.13 2 4 1 34 237.371 6
Hi High (pH 8-9.5) 0.71 2.85 -6.04 1 4 0 33 236.363 6
Mid Mid (pH 6-8) 0.71 6.66 -117.17 3 4 2 39 238.379 6
Mid Mid (pH 6-8) 0.71 4.22 -43.69 2 4 1 38 237.371 6

Activity (Go SEA)

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