UCSF

ZINC20433783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -1.18 -1.98 -42.5 3 5 1 60 214.289 1
Hi High (pH 8-9.5) -1.18 -3.34 -9.45 2 5 0 56 213.281 1
Mid Mid (pH 6-8) -1.18 0.39 -98.47 4 5 2 62 215.297 1

Activity (Go SEA)

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