UCSF

ZINC53114044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 0.77 2.9 -28.79 3 4 1 51 238.355 4
Hi High (pH 8-9.5) 0.77 2.44 -7.24 2 4 0 50 237.347 4
Mid Mid (pH 6-8) 0.77 3.66 -37.49 3 4 1 55 238.355 4
Mid Mid (pH 6-8) 0.77 4.12 -100.78 4 4 2 56 239.363 4

Activity (Go SEA)

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