UCSF

ZINC43253068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 3.10 5.27 -42.75 3 2 1 31 273.853 4
Hi High (pH 8-9.5) 3.10 4.97 -1.31 2 2 0 29 272.845 4
Mid Mid (pH 6-8) 3.10 7.06 -32.43 3 2 1 30 273.853 4
Mid Mid (pH 6-8) 3.10 6.95 -112.61 4 2 2 32 274.861 4

Activity (Go SEA)

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