UCSF

ZINC48621822

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) 1.91 4.28 -46.58 2 6 1 69 280.3 4
Hi High (pH 8-9.5) 1.91 4.92 -33.27 1 6 0 72 279.292 4

Activity (Go SEA)

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