UCSF

ZINC37236939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.09 3.51 -41.41 4 5 1 63 269.413 4
Mid Mid (pH 6-8) 1.09 2.31 -48.16 4 5 1 66 269.413 4
Lo Low (pH 4.5-6) 1.09 4.54 -118.87 5 5 2 67 270.421 4

Activity (Go SEA)

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