UCSF

ZINC42582583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.73 5.01 -9.08 2 4 0 62 248.326 3
Hi High (pH 8-9.5) 2.73 6.48 -39.42 2 4 0 66 248.326 3
Mid Mid (pH 6-8) 2.73 6.01 -52.73 1 4 -1 65 247.318 3
Lo Low (pH 4.5-6) 2.73 5.48 -40.38 3 4 1 63 249.334 3

Activity (Go SEA)

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