UCSF

ZINC41584104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.29 10.63 -47.28 2 7 1 90 406.499 12
Hi High (pH 8-9.5) 3.29 11.19 -25.54 1 7 0 93 405.491 12

Activity (Go SEA)

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