UCSF

ZINC37801348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.97 -2.91 -41.54 6 7 1 120 245.303 6
Hi High (pH 8-9.5) -0.97 -3.25 -18.41 5 7 0 119 244.295 6

Activity (Go SEA)

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