UCSF

ZINC37008449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.12 5.73 -82.18 5 5 2 74 292.427 5
Hi High (pH 8-9.5) 1.12 5.06 -8.54 3 5 0 71 290.411 5
Mid Mid (pH 6-8) 1.12 5.39 -45.63 4 5 1 73 291.419 5

Activity (Go SEA)

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