UCSF

ZINC25147157

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 4.80 7.07 -19.73 3 6 0 87 395.484 6
Hi High (pH 8-9.5) 4.80 7.14 -62.08 2 6 -1 89 394.476 6

Activity (Go SEA)

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