UCSF

ZINC48603435

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 3.64 7.35 -9.04 1 3 0 46 254.264 1
Hi High (pH 8-9.5) 4.10 5.52 -48.04 0 3 -1 49 253.256 1

Activity (Go SEA)

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