UCSF

ZINC21720700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 22 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) 1.92 5.54 -40.84 2 5 1 60 303.382 4
Hi High (pH 8-9.5) 1.92 6.33 -62.59 1 5 0 63 302.374 4

Activity (Go SEA)

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