UCSF

ZINC36787140

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 6.67 -126.09 4 3 2 41 278.44 4
Hi High (pH 8-9.5) 1.44 4.23 -3.26 2 3 0 38 276.424 4
Mid Mid (pH 6-8) 1.44 6.37 -35.14 3 3 1 40 277.432 4
Mid Mid (pH 6-8) 1.44 4.49 -40.76 3 3 1 40 277.432 4

Activity (Go SEA)

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