UCSF

ZINC21789399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 3.38 9.04 -106.33 4 3 2 47 265.445 1
Hi High (pH 8-9.5) 3.38 8.62 -58.15 3 3 1 45 264.437 1

Activity (Go SEA)

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