UCSF

ZINC00377344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 21 No

Other Names:

MFCD03234630

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) 3.45 0.97 -7.73 0 4 0 62 320.439 5
Mid Mid (pH 6-8) 3.07 2.66 -8.53 0 4 0 62 320.439 5
Mid Mid (pH 6-8) 3.07 2.22 -8.83 0 4 0 62 320.439 5

Activity (Go SEA)

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