UCSF

ZINC19855390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 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) 5.28 10.67 -20.04 1 5 0 50 404.558 6
Mid Mid (pH 6-8) 5.28 12.98 -58.33 2 5 1 51 405.566 6
Mid Mid (pH 6-8) 5.28 11.07 -31.55 2 5 1 51 405.566 6
Lo Low (pH 4.5-6) 5.28 13.39 -111.6 3 5 2 53 406.574 6

Activity (Go SEA)

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