UCSF

ZINC03151337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 No

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) 2.50 3.08 -13.76 3 6 0 90 297.314 4
Hi High (pH 8-9.5) 2.50 2.84 -42.48 2 6 -1 93 296.306 4
Lo Low (pH 4.5-6) 2.50 2.34 -45.73 4 6 1 92 298.322 4
Lo Low (pH 4.5-6) 2.50 3.54 -13.06 4 6 0 92 298.322 4

Activity (Go SEA)

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