UCSF

ZINC52290785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 0.68 2.94 -8.15 1 6 0 68 190.21 2
Lo Low (pH 4.5-6) 0.68 3.41 -46.01 2 6 1 69 191.218 2

Activity (Go SEA)

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