UCSF

ZINC41720785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.60 7.02 -31.42 2 3 1 39 250.325 4
Hi High (pH 8-9.5) 2.60 6.59 -10.1 1 3 0 38 249.317 4
Lo Low (pH 4.5-6) 2.60 7.49 -78.08 3 3 2 40 251.333 4

Activity (Go SEA)

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