UCSF

ZINC37712507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 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) 1.66 4.09 -124.41 5 3 2 53 224.348 6
Mid Mid (pH 6-8) 1.66 2.98 -44.18 4 3 1 49 223.34 6

Activity (Go SEA)

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