UCSF

ZINC37048962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.57 5.07 -163.52 5 4 3 40 259.462 8
Hi High (pH 8-9.5) 0.57 0.97 -42.6 3 4 1 37 257.446 8
Mid Mid (pH 6-8) 0.57 3.08 -81.57 4 4 2 39 258.454 8

Activity (Go SEA)

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