UCSF

ZINC01143658

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 4.28 -8.89 -13.88 2 6 0 92 467.366 6
Hi High (pH 8-9.5) 4.28 -8.31 -45.26 1 6 -1 94 466.358 6
Hi High (pH 8-9.5) 4.28 -7.74 -91.8 0 6 -2 96 465.35 6
Hi High (pH 8-9.5) 4.28 -8.31 -39.81 1 6 -1 94 466.358 6

Activity (Go SEA)

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