UCSF

ZINC42623143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 22 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) -3.12 7.69 -33.06 0 5 1 33 304.414 5
Mid Mid (pH 6-8) -3.12 10.2 -105.19 1 5 2 34 305.422 5

Activity (Go SEA)

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