UCSF

ZINC20668519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 20 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) 0.85 -1.17 -7.44 2 5 0 56 286.416 7
Mid Mid (pH 6-8) 0.85 1.2 -41.03 3 5 1 57 287.424 7
Mid Mid (pH 6-8) 0.85 1.23 -36.2 3 5 1 57 287.424 7

Activity (Go SEA)

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