UCSF

ZINC37054017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.13 0.39 -13.74 3 6 0 109 288.332 4
Hi High (pH 8-9.5) -0.13 0.54 -48.91 2 6 -1 111 287.324 4
Lo Low (pH 4.5-6) -0.13 1 -50.55 3 6 0 112 288.332 4

Activity (Go SEA)

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