UCSF

ZINC20781874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 2.56 5.02 -43.82 3 4 1 48 341.475 7
Mid Mid (pH 6-8) 2.56 5.2 -48.12 3 4 1 48 341.475 7
Mid Mid (pH 6-8) 2.56 2.81 -9.65 2 4 0 47 340.467 7

Activity (Go SEA)

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