UCSF

ZINC06992597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 24 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) 1.96 9.7 -49.53 2 5 1 67 324.404 7
Hi High (pH 8-9.5) 1.96 8.17 -17.26 1 5 0 65 323.396 7

Activity (Go SEA)

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