UCSF

ZINC23129589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 23 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) 0.69 2.18 -37.92 2 7 1 66 327.449 6
Hi High (pH 8-9.5) 0.69 0.64 -12.4 1 7 0 65 326.441 6

Activity (Go SEA)

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