UCSF

ZINC37835949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.17 8.61 -62.18 0 6 -1 108 278.332 8
Lo Low (pH 4.5-6) -0.17 6.23 -17.25 1 6 0 105 279.34 8

Activity (Go SEA)

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