UCSF

ZINC46601603

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.38 8.64 -35.68 2 3 1 34 343.061 4
Hi High (pH 8-9.5) 4.19 7.66 -25.37 1 3 0 40 342.053 4

Activity (Go SEA)

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