UCSF

ZINC43253501

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) 2.85 7.6 -123.55 4 3 2 45 325.909 7
Hi High (pH 8-9.5) 2.85 5.67 -3.79 2 3 0 42 323.893 7
Mid Mid (pH 6-8) 2.85 7.32 -37.96 3 3 1 43 324.901 7
Mid Mid (pH 6-8) 2.85 5.96 -49.26 3 3 1 44 324.901 7
Lo Low (pH 4.5-6) 2.85 6.42 -93.6 4 3 2 45 325.909 7

Activity (Go SEA)

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