UCSF

ZINC37989562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.85 3.99 -42.78 2 5 1 63 316.834 5
Hi High (pH 8-9.5) 1.85 3.61 -41.31 1 5 0 66 315.826 5

Activity (Go SEA)

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