UCSF

ZINC38000920

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 0.80 0.77 -41.54 5 4 1 80 221.28 5
Hi High (pH 8-9.5) 0.80 -0.34 -8.45 4 4 0 75 220.272 5

Activity (Go SEA)

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