UCSF

ZINC21671403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 3.53 9.73 -41 2 3 1 34 319.375 5
Hi High (pH 8-9.5) 3.53 7.41 -11.35 1 3 0 32 318.367 5

Activity (Go SEA)

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