UCSF

ZINC36783392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.83 7.63 -133.03 4 2 2 32 317.246 5
Hi High (pH 8-9.5) 2.83 7.28 -36.43 3 2 1 30 316.238 5
Mid Mid (pH 6-8) 2.83 5.46 -49.93 3 2 1 31 316.238 5

Activity (Go SEA)

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