UCSF

ZINC17172614

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 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) 4.45 6.95 -21.7 2 6 0 85 404.532 9
Hi High (pH 8-9.5) 4.45 7.02 -60 1 6 -1 87 403.524 9

Activity (Go SEA)

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