UCSF

ZINC37173881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 No

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) 2.84 7.73 -36.46 1 2 1 17 247.815 6
Mid Mid (pH 6-8) 2.84 5.68 -4.15 0 2 0 16 246.807 6

Activity (Go SEA)

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