UCSF

ZINC63121046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 14 Yes

Other Names:

MFCD18299736

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) -0.52 7.31 -75.05 2 4 1 49 201.29 4
Hi High (pH 8-9.5) -0.52 5.4 -61.89 1 4 0 48 200.282 4

Activity (Go SEA)

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