UCSF

ZINC36787139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.44 7.07 -121.07 4 3 2 41 278.44 4
Hi High (pH 8-9.5) 1.44 5.49 -3.12 2 3 0 38 276.424 4
Mid Mid (pH 6-8) 1.44 6.74 -34.72 3 3 1 40 277.432 4
Mid Mid (pH 6-8) 1.44 5.79 -40.24 3 3 1 40 277.432 4

Activity (Go SEA)

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