UCSF

ZINC37818648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -1.19 5.64 -48.43 2 7 1 81 295.363 6
Hi High (pH 8-9.5) -1.19 4.28 -9.69 1 7 0 76 294.355 6

Activity (Go SEA)

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