UCSF

ZINC37817783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 2.26 4.03 -37.73 3 3 1 48 213.345 6
Hi High (pH 8-9.5) 2.26 4.71 -6.24 2 3 0 46 212.337 6

Activity (Go SEA)

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