UCSF

ZINC36876518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 3.49 8.32 -35.72 3 3 1 45 270.4 3
Hi High (pH 8-9.5) 3.49 7.49 -26.16 3 3 1 42 270.4 3
Hi High (pH 8-9.5) 3.49 6.89 -6.86 2 3 0 41 269.392 3
Mid Mid (pH 6-8) 3.49 8.76 -105.28 4 3 2 47 271.408 3

Activity (Go SEA)

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