UCSF

ZINC17968282

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 26 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) 4.60 8.71 -13.22 1 5 0 72 386.498 5
Hi High (pH 8-9.5) 5.06 7.63 -48.6 0 5 -1 75 385.49 5
Mid Mid (pH 6-8) 4.60 8.25 -16.14 1 5 0 72 386.498 5

Activity (Go SEA)

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