UCSF

ZINC29037467

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 24 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) 1.86 0.77 -13.04 3 7 0 105 332.308 3
Hi High (pH 8-9.5) 1.86 1.45 -56.92 2 7 -1 108 331.3 3

Activity (Go SEA)

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