UCSF

ZINC20200362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.62 6.35 -86.16 3 4 2 37 278.444 5
Mid Mid (pH 6-8) 1.62 5.01 -27.35 2 4 1 33 277.436 5
Lo Low (pH 4.5-6) 1.62 5.7 -87.38 3 4 2 34 278.444 5

Activity (Go SEA)

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