UCSF

ZINC20264565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 Yes

Other Names:

MFCD14589707

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) 0.72 4.18 -43.37 3 3 1 48 207.297 3
Mid Mid (pH 6-8) 0.72 3.84 -9.7 2 3 0 46 206.289 3

Activity (Go SEA)

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