UCSF

ZINC37817474

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) 3.43 9.2 -41.39 2 3 1 37 340.285 5
Hi High (pH 8-9.5) 3.43 8.15 -8.8 1 3 0 32 339.277 5

Activity (Go SEA)

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