UCSF

ZINC39982166

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 22 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) 2.62 5.98 -18.58 2 6 0 84 332.41 5
Hi High (pH 8-9.5) 2.24 4.3 -53.33 1 6 -1 90 331.402 6

Activity (Go SEA)

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