UCSF

ZINC09422154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 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) 2.86 -2.55 -16.7 0 6 0 69 392.484 2
Lo Low (pH 4.5-6) 2.86 -2.51 -36.33 1 6 1 71 393.492 2
Lo Low (pH 4.5-6) 2.86 -2.44 -51.82 1 6 1 71 393.492 2
Lo Low (pH 4.5-6) 2.86 -2.4 -83.35 2 6 2 72 394.5 2

Activity (Go SEA)

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