UCSF

ZINC37810230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.36 6.33 -47.94 3 6 1 94 292.359 4
Mid Mid (pH 6-8) 2.36 6.05 -6.9 2 6 0 92 291.351 4

Activity (Go SEA)

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