UCSF

ZINC46034747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 2.69 4.93 -41.11 2 4 1 51 321.825 5
Hi High (pH 8-9.5) 2.69 4.88 -36.51 1 4 0 53 320.817 5
Hi High (pH 8-9.5) 2.69 2.72 -9.62 1 4 0 49 320.817 5

Activity (Go SEA)

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