UCSF

ZINC44514893

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 Yes

Other Names:

MFCD16110377

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) -0.18 4.18 -51.34 3 4 1 57 193.274 2
Mid Mid (pH 6-8) -0.18 4.68 -88.75 4 4 2 58 194.282 2

Activity (Go SEA)

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