UCSF

ZINC31287675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 24 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) 2.71 6.44 -27.29 2 6 0 79 328.368 5
Hi High (pH 8-9.5) 2.71 7.47 -71.94 1 6 -1 82 327.36 5

Activity (Go SEA)

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