UCSF

ZINC05012276

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.03 10.29 -24.54 0 4 0 68 252.31 6
Hi High (pH 8-9.5) 0.71 10.24 -53.36 0 4 -1 74 251.302 5
Hi High (pH 8-9.5) 0.71 10.25 -53.13 0 4 -1 74 251.302 5

Activity (Go SEA)

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