UCSF

ZINC35746340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 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) 2.56 8.77 -19.28 1 8 0 108 394.84 7
Hi High (pH 8-9.5) 2.38 7.61 -38.49 0 8 -1 114 393.832 7

Activity (Go SEA)

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