UCSF

ZINC37997901

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.76 3.68 -52.43 2 6 1 63 298.359 7
Hi High (pH 8-9.5) 0.76 2.32 -9.69 1 6 0 58 297.351 7

Activity (Go SEA)

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