UCSF

ZINC34824797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 17 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) 1.72 6.87 -39.34 2 4 1 38 237.371 4
Hi High (pH 8-9.5) 1.72 5.57 -24.52 2 4 1 34 237.371 4
Hi High (pH 8-9.5) 1.72 5.44 -4.47 1 4 0 33 236.363 4
Mid Mid (pH 6-8) 1.72 7 -92.81 3 4 2 39 238.379 4

Activity (Go SEA)

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