UCSF

ZINC37791970

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) -0.04 4.11 -72.8 2 6 0 77 269.345 6
Hi High (pH 8-9.5) -0.04 1.74 -52.24 1 6 -1 76 268.337 6
Mid Mid (pH 6-8) -0.04 4 -65.06 2 6 0 77 269.345 6
Lo Low (pH 4.5-6) -0.04 2.17 -46.77 3 6 1 74 270.353 6

Activity (Go SEA)

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