UCSF

ZINC17764872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 11 Yes

Other Names:

MFCD09759081

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) 0.53 4.67 -95.35 3 2 2 21 156.273 2
Mid Mid (pH 6-8) 0.53 2.46 -38.08 2 2 1 20 155.265 2

Activity (Go SEA)

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