UCSF

ZINC37839163

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 No

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) 2.09 8.62 -14.5 0 3 0 37 304.209 5
Hi High (pH 8-9.5) 2.10 7.62 -47.21 0 3 -1 43 303.201 5

Activity (Go SEA)

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