UCSF

ZINC05782719

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 13 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) 2.16 5.08 -39.1 2 2 1 26 178.255 2
Hi High (pH 8-9.5) 2.16 3.6 -4.99 1 2 0 21 177.247 2

Activity (Go SEA)

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