UCSF

ZINC30698532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 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) 0.91 6.77 -61.98 1 8 1 75 397.521 5
Mid Mid (pH 6-8) 0.91 4.39 -17.56 0 8 0 73 396.513 5

Activity (Go SEA)

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