UCSF

ZINC12560771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 20 Yes

Other Names:

MFCD09761496

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) 2.29 4.77 -12.35 1 5 0 68 292.36 4
Hi High (pH 8-9.5) 2.29 4.82 -45.79 0 5 -1 70 291.352 4
Lo Low (pH 4.5-6) 2.29 4.94 -34.55 2 5 1 70 293.368 4

Activity (Go SEA)

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