UCSF

ZINC61635535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) -0.49 3.37 -50.14 2 6 1 61 227.288 6
Hi High (pH 8-9.5) -0.49 0.89 -15.05 1 6 0 59 226.28 6

Activity (Go SEA)

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