UCSF

ZINC36191391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.38 3.19 -40.16 3 3 1 34 284.374 4
Mid Mid (pH 6-8) 1.38 5.8 -85.82 4 3 2 35 285.382 4
Lo Low (pH 4.5-6) 1.38 4.71 -109.06 4 3 2 35 285.382 4
Lo Low (pH 4.5-6) 1.38 7.32 -187.3 5 3 3 37 286.39 4

Activity (Go SEA)

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