UCSF

ZINC39968228

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 Yes

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) 2.97 10.32 -19.77 1 8 0 95 428.543 9
Hi High (pH 8-9.5) 3.16 8.9 -53.64 0 8 -1 101 427.535 9

Activity (Go SEA)

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