UCSF

ZINC37822800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.03 -0.75 -44.7 3 5 1 60 238.311 2
Lo Low (pH 4.5-6) -1.03 1.51 -101.81 4 5 2 62 239.319 2

Activity (Go SEA)

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