UCSF

ZINC37821443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.76 4.31 -45.36 4 4 1 68 259.414 10
Hi High (pH 8-9.5) 2.76 4.18 -9.44 3 4 0 67 258.406 10

Activity (Go SEA)

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