UCSF

ZINC43909251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.36 8.57 -130.13 3 4 2 40 292.423 6
Mid Mid (pH 6-8) 3.36 7.51 -41.47 2 4 1 35 291.415 6
Mid Mid (pH 6-8) 3.36 6.44 -40.02 2 4 1 38 291.415 6

Activity (Go SEA)

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