UCSF

ZINC57531496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 2.58 9.28 -50.48 2 6 1 57 355.462 5
Hi High (pH 8-9.5) 2.58 6.83 -14.02 1 6 0 56 354.454 5

Activity (Go SEA)

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