UCSF

ZINC35602134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) -0.33 1.77 -36.37 3 4 1 55 210.301 3
Hi High (pH 8-9.5) -0.33 0.71 -7.48 2 4 0 50 209.293 3
Lo Low (pH 4.5-6) -0.33 1.93 -90.96 4 4 2 56 211.309 3

Activity (Go SEA)

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