UCSF

ZINC20189456

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) 3.51 6.39 -34.09 3 3 1 37 277.432 4
Hi High (pH 8-9.5) 3.51 5.74 -45.08 2 3 0 43 276.424 4
Lo Low (pH 4.5-6) 3.51 7.22 -104.94 4 3 2 41 278.44 4

Activity (Go SEA)

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