UCSF

ZINC43262091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.85 5.75 -30.21 3 3 1 40 348.33 8
Hi High (pH 8-9.5) 2.85 4.93 -39.95 3 3 1 40 348.33 8
Hi High (pH 8-9.5) 2.85 4.64 -1.68 2 3 0 38 347.322 8
Mid Mid (pH 6-8) 2.85 6.02 -108.92 4 3 2 41 349.338 8

Activity (Go SEA)

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