UCSF

ZINC07592788

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 28 No

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) 1.69 8.38 -44.65 3 7 1 83 383.472 7
Hi High (pH 8-9.5) 1.51 7.71 -40.1 2 7 0 89 382.464 7
Hi High (pH 8-9.5) 1.69 6.18 -19.26 2 7 0 82 382.464 7

Activity (Go SEA)

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