UCSF

ZINC44721573

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.38 6.86 -74.3 3 4 2 36 236.363 5
Hi High (pH 8-9.5) 0.38 6.39 -38.99 2 4 1 34 235.355 5
Hi High (pH 8-9.5) 0.38 4.04 -6.75 1 4 0 33 234.347 5
Mid Mid (pH 6-8) 0.38 8.06 -187.17 4 4 3 40 237.371 5
Lo Low (pH 4.5-6) 0.38 5.72 -102.58 3 4 2 39 236.363 5

Activity (Go SEA)

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