UCSF

ZINC37791968

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 4.2 -72.5 2 6 0 77 269.345 6
Hi High (pH 8-9.5) -0.04 1.82 -48.13 1 6 -1 76 268.337 6
Mid Mid (pH 6-8) -0.04 4.09 -72 2 6 0 77 269.345 6
Lo Low (pH 4.5-6) -0.04 2.2 -42.2 3 6 1 74 270.353 6

Activity (Go SEA)

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