UCSF

ZINC45704074

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 0.60 5.16 -99.62 4 4 2 49 233.4 9
Hi High (pH 8-9.5) 0.60 0.05 -34.55 3 4 1 43 232.392 9
Hi High (pH 8-9.5) 0.60 2.61 -95.41 4 4 2 45 233.4 9
Mid Mid (pH 6-8) 0.60 4.71 -187.84 5 4 3 46 234.408 9
Mid Mid (pH 6-8) 0.60 3.45 -81.12 4 4 2 41 233.4 9

Activity (Go SEA)

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