UCSF

ZINC39712272

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 12 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) 2.16 4.83 -110.22 4 2 2 33 174.332 7
Mid Mid (pH 6-8) 2.16 3.61 -36.45 3 2 1 29 173.324 7
Mid Mid (pH 6-8) 2.16 3.48 -32.32 3 2 1 29 173.324 7

Activity (Go SEA)

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