UCSF

ZINC66372706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 19 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) 2.68 8.75 -32.72 1 4 1 34 275.763 2
Mid Mid (pH 6-8) 2.68 8.44 -6.06 0 4 0 32 274.755 2
Lo Low (pH 4.5-6) 2.68 9.09 -79.98 2 4 2 35 276.771 2

Activity (Go SEA)

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