UCSF

ZINC34557160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 2.47 10.57 -49.27 1 5 1 40 320.42 4
Hi High (pH 8-9.5) 2.47 8.26 -14.73 0 5 0 39 319.412 4
Lo Low (pH 4.5-6) 2.47 10.77 -119.35 2 5 2 41 321.428 4

Activity (Go SEA)

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