UCSF

ZINC37790745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -1.22 3.55 -32.91 2 7 0 93 264.285 6
Hi High (pH 8-9.5) -0.47 2.45 -67.03 2 7 -1 99 263.277 5

Activity (Go SEA)

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