UCSF

ZINC37033202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.39 -3.01 -54.49 5 7 1 112 300.36 4
Hi High (pH 8-9.5) -0.39 -4.2 -51.89 3 7 -1 110 298.344 4
Hi High (pH 8-9.5) -0.39 -2.85 -69.95 4 7 0 114 299.352 4

Activity (Go SEA)

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