UCSF

ZINC07055337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 18 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) 3.90 -3.29 -8.88 1 3 0 46 377.178 3
Hi High (pH 8-9.5) 3.90 -2.72 -41.96 0 3 -1 48 376.17 3

Activity (Go SEA)

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