UCSF

ZINC37819276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.78 4.9 -96.56 4 6 2 73 300.447 5
Hi High (pH 8-9.5) -0.78 3.29 -47.48 3 6 1 71 299.439 5
Hi High (pH 8-9.5) -0.78 4.59 -40.14 3 6 1 71 299.439 5

Activity (Go SEA)

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