UCSF

ZINC05332468

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.59 -3.61 -14.86 1 7 0 104 375.431 5
Hi High (pH 8-9.5) 3.59 -3.03 -45.6 0 7 -1 106 374.423 5
Mid Mid (pH 6-8) 4.51 8.09 -15.39 1 7 0 108 375.431 4

Activity (Go SEA)

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