UCSF

ZINC04905323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 No

Other Names:

MFCD07392449

Download: MOL2 SDF SMILES Flexibase

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) 3.33 -0.96 -14.88 1 6 0 76 415.511 9
Mid Mid (pH 6-8) 2.74 -1.11 -22.03 0 6 0 72 415.511 9

Activity (Go SEA)

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