UCSF

ZINC37847764

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) 2.60 6.5 -105.49 4 4 2 51 316.873 9
Hi High (pH 8-9.5) 2.60 5.32 -38.42 3 4 1 46 315.865 9

Activity (Go SEA)

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