UCSF

ZINC76664920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2012 19 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) 3.34 9.74 -46.26 1 4 1 40 281.763 6
Hi High (pH 8-9.5) 3.34 7.28 -8.3 0 4 0 38 280.755 6

Activity (Go SEA)

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