UCSF

ZINC37243702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 No

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) -1.02 1.57 -91.34 6 6 2 90 274.409 10
Hi High (pH 8-9.5) -0.83 0.27 -86.26 5 6 1 97 273.401 10
Hi High (pH 8-9.5) -1.02 1.19 -36.94 5 6 1 89 273.401 10

Activity (Go SEA)

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