UCSF

ZINC37801539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.40 9.66 -113.44 3 4 2 41 291.439 9
Hi High (pH 8-9.5) 1.40 8.31 -51.28 2 4 1 37 290.431 9

Activity (Go SEA)

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