UCSF

ZINC33553189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 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) 2.91 10.19 -63.64 0 8 -1 105 450.467 9
Mid Mid (pH 6-8) 2.91 9.23 -18.03 1 8 0 102 451.475 9

Activity (Go SEA)

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