UCSF

ZINC39741781

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 25 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) 2.81 8.62 -17.89 1 7 0 82 377.495 7
Hi High (pH 8-9.5) 2.99 7.19 -51.54 0 7 -1 88 376.487 7

Activity (Go SEA)

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