UCSF

ZINC37052307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -1.32 1.31 -6.4 2 5 0 59 279.315 3
Mid Mid (pH 6-8) -1.32 1.62 -51.34 3 5 1 60 280.323 3
Mid Mid (pH 6-8) -1.32 3.59 -40.2 3 5 1 60 280.323 3
Lo Low (pH 4.5-6) -1.32 3.89 -104.36 4 5 2 62 281.331 3

Activity (Go SEA)

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