UCSF

ZINC19434780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.61 4.47 -36.56 2 4 1 37 240.371 2
Hi High (pH 8-9.5) 0.61 2.27 -7.85 1 4 0 36 239.363 2
Mid Mid (pH 6-8) 0.61 5.84 -99.28 3 4 2 41 241.379 2

Activity (Go SEA)

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