UCSF

ZINC37839197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.25 2.36 -24.06 0 6 0 75 248.304 3
Hi High (pH 8-9.5) -0.51 1.22 -56.66 0 6 -1 81 247.296 2

Activity (Go SEA)

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