UCSF

ZINC20931024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 3.47 9.2 -58.87 2 5 1 54 360.474 11
Mid Mid (pH 6-8) 3.47 7.78 -11.08 1 5 0 49 359.466 11

Activity (Go SEA)

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