UCSF

ZINC19440498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) 0.99 4.25 -93.72 5 4 2 61 245.411 9
Hi High (pH 8-9.5) 0.99 3.93 -41.76 4 4 1 60 244.403 9

Activity (Go SEA)

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