UCSF

ZINC37806345

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) -1.15 2.77 -45.78 3 6 1 69 281.38 4
Hi High (pH 8-9.5) -1.15 1.4 -16.15 2 6 0 65 280.372 4

Activity (Go SEA)

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