UCSF

ZINC37047838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.52 -1.75 -52.37 2 8 -1 132 307.329 6
Mid Mid (pH 6-8) -0.52 -1.71 -111.03 1 8 -2 135 306.321 6

Activity (Go SEA)

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