UCSF

ZINC67674273

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 23 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) 0.61 5.92 -36.21 1 6 1 52 321.445 4
Hi High (pH 8-9.5) 0.61 5.5 -13.22 0 6 0 51 320.437 4
Lo Low (pH 4.5-6) 0.61 8.06 -117.5 2 6 2 53 322.453 4
Lo Low (pH 4.5-6) 0.61 7.74 -48.89 1 6 1 52 321.445 4

Activity (Go SEA)

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