UCSF

ZINC46947293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.93 3.54 -39.95 2 4 1 37 228.36 5
Hi High (pH 8-9.5) 0.93 1.28 -6.2 1 4 0 36 227.352 5
Mid Mid (pH 6-8) 0.93 3.29 -39.93 2 4 1 37 228.36 5

Activity (Go SEA)

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