UCSF

ZINC43253720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.43 2.01 -57.16 4 4 1 60 302.851 4
Hi High (pH 8-9.5) 1.43 1.72 -8.3 3 4 0 58 301.843 4
Mid Mid (pH 6-8) 1.43 4.02 -29.27 4 4 1 60 302.851 4
Lo Low (pH 4.5-6) 1.43 4.39 -110.07 5 4 2 61 303.859 4

Activity (Go SEA)

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