UCSF

ZINC16514457

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 33 Yes

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) 4.11 7.76 -13.98 2 8 0 83 466.611 8
Mid Mid (pH 6-8) 4.11 9.97 -56.76 3 8 1 84 467.619 8

Activity (Go SEA)

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