UCSF

ZINC37045482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.43 6.28 -100.17 4 4 2 50 249.358 5
Hi High (pH 8-9.5) 1.43 4.84 -43.45 3 4 1 46 248.35 5

Activity (Go SEA)

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