UCSF

ZINC40054814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 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) 4.38 9.79 -66.93 1 7 -1 93 520.005 10
Lo Low (pH 4.5-6) 4.38 9.02 -18.81 2 7 0 90 521.013 10

Activity (Go SEA)

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