UCSF

ZINC29590791

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 22 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) 4.09 6.13 -17.73 1 4 0 55 336.413 5
Mid Mid (pH 6-8) 4.09 6.61 -9.98 1 4 0 55 336.413 5
Mid Mid (pH 6-8) 4.55 4.89 -44.93 0 4 -1 58 335.405 5

Activity (Go SEA)

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