UCSF

ZINC37832966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.22 5.42 -43.69 1 5 1 45 262.761 4
Hi High (pH 8-9.5) -0.22 3.03 -10.85 0 5 0 44 261.753 4

Activity (Go SEA)

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