UCSF

ZINC39753540

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 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) 4.46 10.36 -20.08 2 7 0 87 443.532 6
Hi High (pH 8-9.5) 4.52 8.7 -60.79 1 7 -1 94 442.524 6

Activity (Go SEA)

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