UCSF

ZINC57620295

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 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) 3.80 7.66 -41.28 2 2 1 29 279.816 5
Mid Mid (pH 6-8) 3.80 6.58 -4.38 1 2 0 25 278.808 5

Activity (Go SEA)

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