UCSF

ZINC43253451

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) 2.09 5.93 -93.74 4 3 2 35 301.887 4
Hi High (pH 8-9.5) 2.09 3.47 -1.35 2 3 0 32 299.871 4
Mid Mid (pH 6-8) 2.09 3.16 -46.93 3 3 1 34 300.879 4

Activity (Go SEA)

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