UCSF

ZINC49970654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.25 9.49 -41.52 1 5 1 53 292.403 5
Hi High (pH 8-9.5) 3.25 7.57 -5.44 0 5 0 52 291.395 5

Activity (Go SEA)

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