UCSF

ZINC34682631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 4.95 13.57 -40.25 1 3 1 25 395.523 5
Hi High (pH 8-9.5) 4.95 11.33 -8.66 0 3 0 24 394.515 5

Activity (Go SEA)

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