UCSF

ZINC08411678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 No

Other Names:

MFCD01789214

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) 5.18 0.89 -11.65 0 5 0 79 482.671 8
Mid Mid (pH 6-8) 5.74 -0.83 -10.2 0 5 0 79 482.671 8
Mid Mid (pH 6-8) 5.56 0.01 -9.16 0 5 0 79 482.671 8

Activity (Go SEA)

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