UCSF

ZINC44721290

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.00 2.99 -77.62 4 4 2 41 229.368 6
Hi High (pH 8-9.5) 0.00 0.54 -31.87 3 4 1 40 228.36 6
Hi High (pH 8-9.5) 0.00 0.58 -35.14 3 4 1 40 228.36 6
Mid Mid (pH 6-8) 0.00 -0.66 -39.91 3 4 1 43 228.36 6
Mid Mid (pH 6-8) 0.00 1.84 -102.59 4 4 2 45 229.368 6

Activity (Go SEA)

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