UCSF

ZINC37820404

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -2.21 -4.71 -55.74 6 7 1 120 251.332 4
Hi High (pH 8-9.5) -2.21 -5.11 -18.26 5 7 0 119 250.324 4
Hi High (pH 8-9.5) -2.21 -5.49 -48.91 4 7 -1 121 249.316 4

Activity (Go SEA)

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