UCSF

ZINC30757798

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 28 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) 1.78 3.48 -54.52 2 7 -1 112 420.898 5
Mid Mid (pH 6-8) 1.78 3.42 -29.34 3 7 0 110 421.906 5

Activity (Go SEA)

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