UCSF

ZINC37813917

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -0.46 0.27 -42.43 5 5 1 91 228.316 5
Hi High (pH 8-9.5) -0.46 -0.19 -14.66 4 5 0 89 227.308 5

Activity (Go SEA)

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