UCSF

ZINC23424856

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 23 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) 3.29 9.07 -112.42 3 3 2 24 319.537 8
Hi High (pH 8-9.5) 3.29 8.09 -35.44 2 3 1 20 318.529 8
Mid Mid (pH 6-8) 3.29 7.88 -30.56 2 3 1 20 318.529 8
Mid Mid (pH 6-8) 3.29 10.31 -81.54 3 3 2 21 319.537 8
Mid Mid (pH 6-8) 3.29 7.03 -39.35 2 3 1 23 318.529 8
Lo Low (pH 4.5-6) 3.29 11.3 -202.03 4 3 3 25 320.545 8

Activity (Go SEA)

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