UCSF

ZINC37818303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.26 0.69 -49.06 4 7 1 95 283.352 4
Hi High (pH 8-9.5) -0.08 -1.95 -67.26 3 7 0 101 282.344 4
Hi High (pH 8-9.5) -0.26 -0.36 -12.78 3 7 0 91 282.344 4

Activity (Go SEA)

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