UCSF

ZINC46511094

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 16 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) 0.46 2.49 -41.98 3 5 1 63 230.332 8
Hi High (pH 8-9.5) 0.46 0.5 -13.02 2 5 0 61 229.324 8

Activity (Go SEA)

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