UCSF

ZINC08439970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Other Names:

MFCD03696137

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) 5.38 2.15 -44.42 2 6 1 71 479.641 12
Mid Mid (pH 6-8) 4.79 2.06 -53.24 1 6 1 68 479.641 12

Activity (Go SEA)

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