UCSF

ZINC41584291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 7.05 13.4 -50.66 2 5 1 64 489.43 10
Hi High (pH 8-9.5) 7.05 14.08 -33.8 1 5 0 67 488.422 10

Activity (Go SEA)

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