UCSF

ZINC13125549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 4.58 10.32 -61.51 1 5 -1 70 356.405 5
Mid Mid (pH 6-8) 4.58 9.4 -12.38 2 5 0 67 357.413 5
Lo Low (pH 4.5-6) 4.32 11.12 -149.69 4 5 2 73 359.429 4
Lo Low (pH 4.5-6) 4.58 9.75 -11.05 3 5 0 69 358.421 5

Activity (Go SEA)

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