UCSF

ZINC21288584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 23 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) 1.20 2.66 -20.62 2 8 0 102 334.357 5
Hi High (pH 8-9.5) 1.01 1.59 -43.23 1 8 -1 109 333.349 5

Activity (Go SEA)

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