UCSF

ZINC34578176

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 5.43 14.83 -39.87 1 4 1 34 415.557 8
Mid Mid (pH 6-8) 5.43 12.61 -9.77 0 4 0 33 414.549 8

Activity (Go SEA)

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