UCSF

ZINC36871860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.86 -0.36 -43.58 4 4 1 68 187.263 5
Hi High (pH 8-9.5) -0.86 -0.67 -7.21 3 4 0 67 186.255 5

Activity (Go SEA)

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