UCSF

ZINC34329418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 25 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 8.56 -44.5 1 5 1 41 340.399 2
Hi High (pH 8-9.5) 2.99 6.21 -10.06 0 5 0 40 339.391 2

Activity (Go SEA)

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