UCSF

ZINC59376787

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 18 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) 2.97 6.13 -41.29 3 2 1 37 240.326 2
Mid Mid (pH 6-8) 2.97 4.86 -4.81 2 2 0 32 239.318 2

Activity (Go SEA)

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