UCSF

ZINC49282698

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) -1.10 -0.7 -97.87 5 6 2 74 260.382 8
Mid Mid (pH 6-8) -1.10 -2.89 -48.87 4 6 1 72 259.374 8
Lo Low (pH 4.5-6) -1.10 -0.61 -119.09 5 6 2 74 260.382 8

Activity (Go SEA)

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