UCSF

ZINC37825114

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) -0.63 3.89 -170.6 5 6 3 66 301.455 5
Hi High (pH 8-9.5) -0.63 2.54 -96.12 4 6 2 61 300.447 5

Activity (Go SEA)

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