UCSF

ZINC21784160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 3.55 7.25 -19.15 3 7 0 104 441.484 6
Hi High (pH 8-9.5) 4.01 6.13 -45.85 2 7 -1 107 440.476 6

Activity (Go SEA)

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