UCSF

ZINC48575010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 1.20 4.26 -46.85 3 6 1 87 281.332 7
Hi High (pH 8-9.5) 1.20 2.61 -10.87 2 6 0 86 280.324 7

Activity (Go SEA)

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