UCSF

ZINC36785000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 3.28 5.21 -39.44 3 2 1 31 227.416 8
Mid Mid (pH 6-8) 3.28 6.67 -26.86 3 2 1 30 227.416 8
Mid Mid (pH 6-8) 3.28 7.24 -110.42 4 2 2 32 228.424 8

Activity (Go SEA)

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