UCSF

ZINC35693621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) 0.37 2.04 -44.27 3 4 1 59 194.258 4
Hi High (pH 8-9.5) 0.37 0.61 -8.97 2 4 0 54 193.25 4
Lo Low (pH 4.5-6) 0.37 2.5 -89.43 4 4 2 60 195.266 4

Activity (Go SEA)

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