UCSF

ZINC39975198

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 4.07 9.15 -34.92 1 2 1 8 326.302 5
Hi High (pH 8-9.5) 4.07 6.87 -2.1 0 2 0 6 325.294 5
Mid Mid (pH 6-8) 4.07 9.15 -37.13 1 2 1 8 326.302 5

Activity (Go SEA)

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