UCSF

ZINC33048514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2009 23 No

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) 1.19 0.97 -51.49 3 9 -1 158 336.305 5
Hi High (pH 8-9.5) 1.19 1.04 -92.1 2 9 -2 160 335.297 5
Lo Low (pH 4.5-6) 1.19 0.02 -18.2 4 9 0 155 337.313 5

Activity (Go SEA)

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