UCSF

ZINC37980857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.76 3.72 -42.13 3 4 1 59 221.28 6
Hi High (pH 8-9.5) 0.76 2.48 -7.97 2 4 0 54 220.272 6
Hi High (pH 8-9.5) 0.94 1.28 -33.77 2 4 0 65 220.272 6

Activity (Go SEA)

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