UCSF

ZINC37838749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.66 5.91 -74.59 1 6 0 82 294.417 10
Hi High (pH 8-9.5) 0.66 3.53 -51.38 0 6 -1 81 293.409 10

Activity (Go SEA)

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