UCSF

ZINC47476135

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2010 17 Yes

Other Names:

MFCD13195606

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) 2.83 7.57 -32.8 2 4 0 66 234.299 4
Mid Mid (pH 6-8) 2.83 7.14 -52.78 1 4 -1 65 233.291 4

Activity (Go SEA)

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