UCSF

ZINC33824756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 2.00 6.15 -38.56 1 2 1 14 178.255 1
Hi High (pH 8-9.5) 2.00 3.74 -3.45 0 2 0 12 177.247 1

Activity (Go SEA)

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