UCSF

ZINC34560368

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 1.23 5.47 -13.79 2 6 0 82 354.815 5
Mid Mid (pH 6-8) 1.23 5.79 -60.58 3 6 1 83 355.823 5

Activity (Go SEA)

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