UCSF

ZINC46503192

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 15 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) -1.00 2.87 -41.38 2 5 1 54 216.305 6
Hi High (pH 8-9.5) -1.00 0.62 -11.36 1 5 0 53 215.297 6

Activity (Go SEA)

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