UCSF

ZINC19536849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 Yes

Other Names:

MFCD01825712

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) 3.07 8.08 -37.5 1 4 1 26 327.448 6
Mid Mid (pH 6-8) 3.07 5.82 -5.67 0 4 0 25 326.44 6
Mid Mid (pH 6-8) 3.07 8.12 -34.46 1 4 1 26 327.448 6

Activity (Go SEA)

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