UCSF

ZINC48627718

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 2.12 1.92 -8.36 3 4 0 65 248.307 3
Mid Mid (pH 6-8) 2.12 2.04 -29.03 4 4 1 67 249.315 3
Lo Low (pH 4.5-6) 2.12 2.88 -29.12 3 4 0 69 248.307 3

Activity (Go SEA)

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