UCSF

ZINC37835640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.09 3.74 -71.78 3 7 0 108 269.301 4
Hi High (pH 8-9.5) -1.09 2.11 -52.09 2 7 -1 107 268.293 4
Lo Low (pH 4.5-6) -1.09 1.75 -50.22 4 7 1 105 270.309 4

Activity (Go SEA)

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