UCSF

ZINC45688398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.67 8.75 -88.05 3 3 2 24 285.52 9
Hi High (pH 8-9.5) 3.67 6.26 -35.98 2 3 1 23 284.512 9

Activity (Go SEA)

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