UCSF

ZINC43251757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.26 4.77 -104.88 4 3 2 35 289.876 4
Hi High (pH 8-9.5) 2.26 2.77 -1.41 2 3 0 32 287.86 4
Mid Mid (pH 6-8) 2.26 3.1 -45.17 3 3 1 34 288.868 4

Activity (Go SEA)

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