UCSF

ZINC43905511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.44 5.65 -36.04 2 3 1 29 247.362 4
Hi High (pH 8-9.5) 2.44 4.8 -2.93 1 3 0 24 246.354 4
Mid Mid (pH 6-8) 2.44 6.49 -37.42 2 3 1 26 247.362 4
Mid Mid (pH 6-8) 2.44 7.59 -119.4 3 3 2 30 248.37 4

Activity (Go SEA)

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