UCSF

ZINC37998828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 2.31 4.95 -52.94 4 7 1 105 358.216 5
Mid Mid (pH 6-8) 2.31 2.76 -13.51 3 7 0 104 357.208 5

Activity (Go SEA)

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