UCSF

ZINC37809798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.59 6.58 -41.96 3 3 1 48 279.448 4
Hi High (pH 8-9.5) 2.59 6.36 -5.11 2 3 0 46 278.44 4

Activity (Go SEA)

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