UCSF

ZINC31921228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 5.30 12.86 -14.33 0 3 0 41 323.399 3
Lo Low (pH 4.5-6) 5.30 13.28 -35.74 1 3 1 42 324.407 3

Activity (Go SEA)

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