UCSF

ZINC00251805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.97 5.58 -13.86 3 5 0 74 319.364 5
Hi High (pH 8-9.5) 3.97 6.35 -57.7 2 5 -1 77 318.356 5
Lo Low (pH 4.5-6) 3.97 5.9 -40.5 4 5 1 75 320.372 5

Activity (Go SEA)

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