UCSF

ZINC36830831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 0.92 3.82 -48.76 3 4 1 67 232.307 5
Hi High (pH 8-9.5) 0.92 3.53 -5.52 2 4 0 65 231.299 5

Activity (Go SEA)

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