UCSF

ZINC37817571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.43 0.79 -50.46 3 7 1 72 296.395 3
Hi High (pH 8-9.5) -1.43 -0.57 -18.13 2 7 0 68 295.387 3

Activity (Go SEA)

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