UCSF

ZINC37839549

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 No

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) -1.02 4 -25.79 1 5 0 66 212.249 3
Hi High (pH 8-9.5) -0.28 2.34 -64.6 1 5 -1 72 211.241 2

Activity (Go SEA)

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