UCSF

ZINC37825003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.58 7.46 -110.35 3 5 2 54 294.443 9
Lo Low (pH 4.5-6) 0.58 7.93 -176.79 4 5 3 55 295.451 9

Activity (Go SEA)

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