UCSF

ZINC37032107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 5.25 8.27 -36.83 3 2 1 37 284.423 4
Hi High (pH 8-9.5) 5.25 9.03 -27.85 2 2 0 40 283.415 4

Activity (Go SEA)

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