UCSF

ZINC45684361

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.18 3.72 -40.28 4 5 1 77 320.866 7
Hi High (pH 8-9.5) 2.18 1.82 -8.76 3 5 0 75 319.858 7

Activity (Go SEA)

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