UCSF

ZINC39735234

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 25 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) 5.81 12.12 -8.27 1 3 0 42 480.396 5
Hi High (pH 8-9.5) 5.88 10.48 -40.91 0 3 -1 48 479.388 5

Activity (Go SEA)

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