UCSF

ZINC43253180

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.39 9.05 -35.87 3 2 1 30 344.331 6
Hi High (pH 8-9.5) 4.39 7.12 -3.11 2 2 0 29 343.323 6
Mid Mid (pH 6-8) 4.39 9.35 -120.19 4 2 2 32 345.339 6
Mid Mid (pH 6-8) 4.39 7.41 -45.94 3 2 1 31 344.331 6

Activity (Go SEA)

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