UCSF

ZINC37817037

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.52 7.79 -42.78 2 4 1 50 265.377 7
Hi High (pH 8-9.5) 1.52 6.44 -8.27 1 4 0 45 264.369 7

Activity (Go SEA)

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