UCSF

ZINC25120659

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 25 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) 0.31 8.99 -33.7 3 7 1 92 343.407 6
Hi High (pH 8-9.5) 0.31 6.9 -11.55 2 7 0 90 342.399 6

Activity (Go SEA)

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