UCSF

ZINC45457813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 2.83 9.28 -42.72 2 3 1 34 275.416 5
Mid Mid (pH 6-8) 2.83 6.58 -7.92 1 3 0 32 274.408 5

Activity (Go SEA)

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