UCSF

ZINC00426240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 2.06 4.03 -9.97 3 6 0 101 329.363 2
Lo Low (pH 4.5-6) 2.06 3.65 -51.78 4 6 1 102 330.371 2
Lo Low (pH 4.5-6) 2.06 3.86 -36.21 4 6 1 102 330.371 2
Lo Low (pH 4.5-6) 2.06 4.48 -36.32 4 6 1 102 330.371 2

Activity (Go SEA)

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