UCSF

ZINC43401940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.45 1.08 -103.05 4 6 2 74 269.393 4
Hi High (pH 8-9.5) 0.45 0.91 -40.77 3 6 1 73 268.385 4
Hi High (pH 8-9.5) 0.45 0.84 -39.63 3 6 1 73 268.385 4
Mid Mid (pH 6-8) 0.45 1.15 -87.03 4 6 2 74 269.393 4
Lo Low (pH 4.5-6) 0.45 3.48 -179.74 5 6 3 75 270.401 4

Activity (Go SEA)

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