UCSF

ZINC37805764

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) -2.37 -4.46 -56.38 5 8 1 123 293.369 5
Hi High (pH 8-9.5) -2.37 -4.86 -18.05 4 8 0 122 292.361 5

Activity (Go SEA)

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