UCSF

ZINC25964103

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 26 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) -1.51 9.85 -39.69 0 6 1 56 357.43 5
Mid Mid (pH 6-8) -1.51 12.31 -110.21 1 6 2 57 358.438 5

Activity (Go SEA)

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