UCSF

ZINC21639626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 4.47 8.98 -10.52 1 6 0 60 461.385 6
Lo Low (pH 4.5-6) 4.47 9.45 -36 2 6 1 61 462.393 6

Activity (Go SEA)

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