UCSF

ZINC08439310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 Yes

Other Names:

MFCD05990462

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) 4.55 -4.9 -16.13 2 6 0 92 452.504 6
Hi High (pH 8-9.5) 4.55 -4.32 -41.33 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.55 -3.74 -91.86 0 6 -2 96 450.488 6

Activity (Go SEA)

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