UCSF

ZINC13849713

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 23 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) 2.28 1.66 -16.75 3 6 0 98 354.815 6
Hi High (pH 8-9.5) 2.28 1.73 -51.87 2 6 -1 101 353.807 6

Activity (Go SEA)

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