UCSF

ZINC09063332

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.22 10.1 -48.48 2 3 1 34 323.888 7
Hi High (pH 8-9.5) 4.22 7.85 -8.94 1 3 0 32 322.88 7

Activity (Go SEA)

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