UCSF

ZINC19852372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.33 2.57 -102.38 4 5 2 54 265.357 4
Mid Mid (pH 6-8) 0.33 0.24 -48.02 3 5 1 53 264.349 4

Activity (Go SEA)

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