UCSF

ZINC37822697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.64 2.67 -44.83 3 4 1 61 208.285 4
Hi High (pH 8-9.5) -0.64 2.35 -9.6 2 4 0 59 207.277 4
Lo Low (pH 4.5-6) -0.64 3.07 -89.09 4 4 2 62 209.293 4

Activity (Go SEA)

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