UCSF

ZINC37050030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.46 3.17 -85.55 4 5 2 56 258.41 7
Mid Mid (pH 6-8) -0.46 3.1 -91.56 4 5 2 56 258.41 7
Mid Mid (pH 6-8) -0.46 0.89 -46.02 3 5 1 54 257.402 7

Activity (Go SEA)

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