UCSF

ZINC21983438

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 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) 2.99 6.97 -51.27 3 2 1 37 326.313 3
Hi High (pH 8-9.5) 2.99 5.7 -5.43 2 2 0 32 325.305 3

Activity (Go SEA)

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