UCSF

ZINC36790038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

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) 2.62 6.85 -93.87 5 4 2 61 293.455 9
Hi High (pH 8-9.5) 2.62 6.45 -40.14 4 4 1 60 292.447 9

Activity (Go SEA)

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