UCSF

ZINC37788350

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 4.30 9.51 -46.76 2 3 1 43 316.874 6
Hi High (pH 8-9.5) 4.30 8.46 -5.15 1 3 0 38 315.866 6

Activity (Go SEA)

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