UCSF

ZINC13581855

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 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) 1.53 8.78 -44.67 4 7 1 95 443.612 7

Activity (Go SEA)

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