UCSF

ZINC23070319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.95 5.42 -45.14 3 2 1 37 216.304 4
Hi High (pH 8-9.5) 0.95 5.01 -5.01 2 2 0 35 215.296 4

Activity (Go SEA)

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