UCSF

ZINC37803548

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) -2.34 -0.63 -53.66 4 8 1 107 299.351 4
Hi High (pH 8-9.5) -2.34 -1.03 -18.33 3 8 0 105 298.343 4

Activity (Go SEA)

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