UCSF

ZINC39039822

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 15 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) 2.30 5.28 -101.66 4 2 2 32 212.381 3
Hi High (pH 8-9.5) 2.30 3.22 -46.69 3 2 1 31 211.373 3
Hi High (pH 8-9.5) 2.30 4.72 -28.78 3 2 1 30 211.373 3

Activity (Go SEA)

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