UCSF

ZINC15936961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 33 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) 4.85 6.8 -33.55 3 8 1 112 484.941 6
Hi High (pH 8-9.5) 4.85 7.47 -27.7 2 8 0 114 483.933 6

Activity (Go SEA)

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