UCSF

ZINC40389730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 26 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) 5.32 12.79 -50.57 1 4 1 31 393.338 8
Hi High (pH 8-9.5) 5.32 10.63 -9.44 0 4 0 30 392.33 8
Lo Low (pH 4.5-6) 5.32 13.44 -108.02 2 4 2 33 394.346 8

Activity (Go SEA)

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