UCSF

ZINC59672315

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 27 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) 5.71 11.01 -41.03 2 3 1 34 370.557 6
Hi High (pH 8-9.5) 5.71 8.74 -4.59 1 3 0 33 369.549 6

Activity (Go SEA)

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