UCSF

ZINC07814082

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 27 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) 5.34 11.45 -17.94 2 4 0 54 356.425 6
Mid Mid (pH 6-8) 4.86 8.34 -11.14 2 4 0 58 356.425 6

Activity (Go SEA)

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