UCSF

ZINC34995906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.25 4.41 -50.16 2 4 1 40 270.441 6
Hi High (pH 8-9.5) 1.25 3.22 -7.27 1 4 0 36 269.433 6
Mid Mid (pH 6-8) 1.25 6.67 -122.96 3 4 2 41 271.449 6
Mid Mid (pH 6-8) 1.25 5.47 -38.05 2 4 1 37 270.441 6

Activity (Go SEA)

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