UCSF

ZINC06515953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 27 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) 3.49 7.29 -11.67 2 7 0 93 383.477 6
Hi High (pH 8-9.5) 3.49 8.05 -42.87 1 7 -1 96 382.469 6

Activity (Go SEA)

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