UCSF

ZINC21720894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 3.07 8.27 -37.64 2 5 1 60 331.436 6
Hi High (pH 8-9.5) 3.07 9.08 -39.82 1 5 0 63 330.428 6

Activity (Go SEA)

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