UCSF

ZINC36914377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.32 5.83 -30.99 2 3 1 29 270.466 7
Hi High (pH 8-9.5) 2.32 3.91 -3.8 1 3 0 28 269.458 7
Mid Mid (pH 6-8) 2.32 5.09 -32.72 2 3 1 33 270.466 7
Mid Mid (pH 6-8) 2.32 7 -103.5 3 3 2 34 271.474 7

Activity (Go SEA)

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