UCSF

ZINC05491258

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 27 No

Other Names:

MFCD03861394

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) 3.10 8.47 -53.96 0 5 -1 74 382.392 5
Mid Mid (pH 6-8) 3.54 1.07 -18.61 1 5 0 70 383.4 4
Mid Mid (pH 6-8) 2.51 0.33 -10.37 0 5 0 67 383.4 5

Activity (Go SEA)

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