UCSF

ZINC36886029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) -1.65 7.54 -38 1 6 0 89 253.302 8
Hi High (pH 8-9.5) -1.65 4.98 -50.45 0 6 -1 87 252.294 8

Activity (Go SEA)

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