UCSF

ZINC43709730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -0.16 4.27 -56.89 2 6 1 65 293.343 3
Hi High (pH 8-9.5) -0.16 2.91 -16.21 1 6 0 60 292.335 3

Activity (Go SEA)

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