UCSF

ZINC41584237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 7.10 15.16 -41.16 2 6 1 85 527.435 9
Hi High (pH 8-9.5) 7.10 15.72 -27.16 1 6 0 88 526.427 9

Activity (Go SEA)

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