UCSF

ZINC43430555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.79 4.87 -39.39 2 5 0 91 315.366 4
Hi High (pH 8-9.5) -0.79 3.8 -47.14 1 5 -1 86 314.358 4

Activity (Go SEA)

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