UCSF

ZINC48992387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 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) 3.32 7.34 -41.88 3 2 1 31 273.444 6
Mid Mid (pH 6-8) 3.32 8.49 -29.47 3 2 1 30 273.444 6
Mid Mid (pH 6-8) 3.32 8.96 -123.6 4 2 2 32 274.452 6

Activity (Go SEA)

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