UCSF

ZINC37802103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.09 -0.68 -55.42 3 6 1 91 279.382 6
Hi High (pH 8-9.5) -1.09 -0.97 -15.47 2 6 0 90 278.374 6

Activity (Go SEA)

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