UCSF

ZINC37798500

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) -0.66 1.55 -50.84 4 6 1 82 265.337 3
Hi High (pH 8-9.5) -0.66 1.14 -11.15 3 6 0 80 264.329 3

Activity (Go SEA)

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