UCSF

ZINC48812387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 26 No

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) 2.55 8.44 -42.09 2 6 1 63 376.502 9
Hi High (pH 8-9.5) 2.55 6.45 -17.12 1 6 0 62 375.494 9

Activity (Go SEA)

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