UCSF

ZINC41722264

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) -0.57 7.55 -45.66 3 4 1 50 259.377 3
Hi High (pH 8-9.5) -0.57 7.25 -7.72 2 4 0 49 258.369 3
Mid Mid (pH 6-8) -0.57 8.08 -84.44 4 4 2 52 260.385 3

Activity (Go SEA)

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