UCSF

ZINC13425534

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 20 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) 2.62 4.79 -7.4 1 4 0 42 296.798 4
Mid Mid (pH 6-8) 2.62 7.06 -42.22 2 4 1 43 297.806 4
Lo Low (pH 4.5-6) 2.80 5 -39.52 2 4 1 46 297.806 4

Activity (Go SEA)

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