UCSF

ZINC51958810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 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) 3.09 7.45 -40.92 1 3 1 17 315.89 4
Hi High (pH 8-9.5) 3.09 5.19 -3.09 0 3 0 16 314.882 4
Mid Mid (pH 6-8) 3.09 9.51 -103.92 2 3 2 18 316.898 4

Activity (Go SEA)

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