UCSF

ZINC37997340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.49 6.37 -46.1 3 4 1 55 279.404 9
Hi High (pH 8-9.5) 2.49 5.02 -9.13 2 4 0 50 278.396 9

Activity (Go SEA)

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