UCSF

ZINC21720564

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) 2.22 6.72 -30.34 2 5 1 60 289.355 4
Hi High (pH 8-9.5) 2.22 7.51 -38.23 1 5 0 63 288.347 4

Activity (Go SEA)

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