UCSF

ZINC37822745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.03 4.62 -49.8 3 4 1 61 248.35 4
Mid Mid (pH 6-8) 1.03 4.49 -8.51 2 4 0 59 247.342 4
Lo Low (pH 4.5-6) 1.03 5.08 -90.22 4 4 2 62 249.358 4

Activity (Go SEA)

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