UCSF

ZINC37853158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 3.30 6.22 -45.47 3 3 1 46 321.268 9
Hi High (pH 8-9.5) 3.30 4.86 -4.68 2 3 0 41 320.26 9

Activity (Go SEA)

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