UCSF

ZINC20858691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 2.28 6.72 -31.92 1 2 1 8 237.342 3
Hi High (pH 8-9.5) 2.28 4.46 -3.57 0 2 0 6 236.334 3
Mid Mid (pH 6-8) 2.28 6.84 -35.55 1 2 1 8 237.342 3
Lo Low (pH 4.5-6) 2.28 9.19 -103.51 2 2 2 9 238.35 3

Activity (Go SEA)

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