UCSF

ZINC01157824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 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) 4.29 -6.78 -14.25 2 6 0 92 416.524 6
Hi High (pH 8-9.5) 4.29 -6.2 -44.43 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.29 -6.32 -45.3 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.29 -5.74 -96.7 0 6 -2 96 414.508 6

Activity (Go SEA)

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