UCSF

ZINC34439385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 9 Yes

Other Names:

MFCD21640783

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) -2.16 -6.59 -38.63 5 4 1 77 136.171 5
Hi High (pH 8-9.5) -2.16 -8 -7.32 4 4 0 73 135.163 5

Activity (Go SEA)

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