UCSF

ZINC37925525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 13 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) 2.26 7.51 -35.48 1 2 1 28 179.287 3
Hi High (pH 8-9.5) 2.26 5.66 -5.25 0 2 0 27 178.279 3

Activity (Go SEA)

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