UCSF

ZINC37092497

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) 3.62 8.19 -34.65 2 2 1 16 293.397 5
Mid Mid (pH 6-8) 3.62 6.96 -42.85 2 2 1 20 293.397 5
Lo Low (pH 4.5-6) 3.62 9.19 -111.18 3 2 2 21 294.405 5

Activity (Go SEA)

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