UCSF

ZINC34383945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) -0.21 2.45 -14.85 3 9 0 126 393.371 8
Hi High (pH 8-9.5) 0.25 0.63 -64.4 2 9 -1 129 392.363 8
Mid Mid (pH 6-8) -0.21 2.85 -63.6 4 9 1 127 394.379 8

Activity (Go SEA)

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