UCSF

ZINC16228089

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 24 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) 2.91 5.47 -15.95 1 6 0 81 319.32 3
Lo Low (pH 4.5-6) 3.36 6.38 -99.16 3 6 2 84 321.336 2

Activity (Go SEA)

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