UCSF

ZINC37801931

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.67 6.97 -40.94 2 4 1 42 250.366 3
Hi High (pH 8-9.5) 1.67 5.53 -7.35 1 4 0 37 249.358 3

Activity (Go SEA)

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