UCSF

ZINC43967176

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.26 7.74 -35.81 2 4 1 34 287.431 6
Hi High (pH 8-9.5) 2.26 5.88 -5.69 1 4 0 33 286.423 6
Mid Mid (pH 6-8) 2.26 8.57 -116.59 3 4 2 39 288.439 6

Activity (Go SEA)

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