UCSF

ZINC43252233

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) 2.05 2.87 -36.68 5 4 1 74 302.851 5
Hi High (pH 8-9.5) 2.05 1.12 -7 4 4 0 72 301.843 5
Hi High (pH 8-9.5) 2.05 1.33 -57.86 5 4 1 74 302.851 5
Hi High (pH 8-9.5) 1.80 1.61 -30.36 4 4 0 77 301.843 5
Mid Mid (pH 6-8) 2.05 3.19 -123.08 6 4 2 75 303.859 5

Activity (Go SEA)

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