UCSF

ZINC19589991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 19 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) 1.65 5.31 -38.88 2 4 1 37 262.377 5
Hi High (pH 8-9.5) 1.65 2.91 -11.24 1 4 0 36 261.369 5

Activity (Go SEA)

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