UCSF

ZINC43501466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

Other Names:

MFCD18379953

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) 1.73 7.08 -115.56 3 2 2 21 224.323 3
Hi High (pH 8-9.5) 1.73 4.8 -40.85 2 2 1 20 223.315 3
Mid Mid (pH 6-8) 1.73 5.75 -39.03 2 2 1 16 223.315 3

Activity (Go SEA)

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