UCSF

ZINC12526849

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 21 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) 3.61 9.91 -15.59 1 3 0 42 276.339 3
Lo Low (pH 4.5-6) 3.61 9.68 -32.02 2 3 1 43 277.347 3

Activity (Go SEA)

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