UCSF

ZINC43411915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.29 3.43 -69.36 2 6 0 91 306.409 6
Hi High (pH 8-9.5) 1.29 3 -82.45 1 6 -1 93 305.401 6
Hi High (pH 8-9.5) 1.29 1.06 -50.51 1 6 -1 90 305.401 6

Activity (Go SEA)

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