UCSF

ZINC15257222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 25 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) 1.92 6.32 -27.9 2 6 0 57 347.483 6
Mid Mid (pH 6-8) 1.92 5.95 -16.42 1 6 0 56 346.475 6
Lo Low (pH 4.5-6) 1.92 8.42 -62.59 3 6 0 58 348.491 6

Activity (Go SEA)

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