UCSF

ZINC20999718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 13 Yes

Other Names:

MFCD05864536

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) -0.07 -0.27 -43.98 3 3 1 40 185.291 1
Mid Mid (pH 6-8) -0.07 0.56 -34.4 3 3 1 37 185.291 1

Activity (Go SEA)

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