UCSF

ZINC37333176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.82 7.98 -31.22 1 2 1 22 210.341 2
Hi High (pH 8-9.5) 2.82 5.84 -5.13 0 2 0 20 209.333 2

Activity (Go SEA)

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