UCSF

ZINC07064798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 28 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) 2.43 8.76 -42.03 3 6 1 76 378.452 7
Hi High (pH 8-9.5) 2.43 6.66 -11.81 2 6 0 75 377.444 7

Activity (Go SEA)

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