UCSF

ZINC41724869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) -0.74 3.58 -40.7 3 4 1 45 264.393 3
Hi High (pH 8-9.5) -0.74 3.26 -5.09 2 4 0 43 263.385 3
Mid Mid (pH 6-8) -0.74 5.85 -90.73 4 4 2 46 265.401 3

Activity (Go SEA)

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