UCSF

ZINC34684370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 2.52 7.94 -51.71 1 8 1 72 449.531 7
Mid Mid (pH 6-8) 2.52 7.96 -50.11 1 8 1 72 449.531 7
Mid Mid (pH 6-8) 2.52 5.69 -12 0 8 0 71 448.523 7

Activity (Go SEA)

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