UCSF

ZINC53031775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 18 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) 3.96 6.67 -39.35 2 2 1 20 287.88 5
Lo Low (pH 4.5-6) 3.96 9.19 -103.75 3 2 2 21 288.888 5

Activity (Go SEA)

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