UCSF

ZINC37803038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 No

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) -0.05 1.13 -46.75 3 6 1 69 299.42 5
Mid Mid (pH 6-8) -0.05 -0.17 -12.45 2 6 0 65 298.412 5
Lo Low (pH 4.5-6) -0.05 3.27 -106.84 4 6 2 70 300.428 5

Activity (Go SEA)

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