UCSF

ZINC21720970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 21 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) 2.68 7.88 -41.26 2 4 1 51 287.383 4
Hi High (pH 8-9.5) 2.68 8.67 -59.52 1 4 0 54 286.375 4

Activity (Go SEA)

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