UCSF

ZINC20244599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -3.77 -0.4 -50.29 2 8 -1 126 252.206 2
Hi High (pH 8-9.5) -3.31 -2.18 -115.49 1 8 -2 129 251.198 2
Mid Mid (pH 6-8) -3.31 -1.53 -106.61 1 8 -2 129 251.198 2

Activity (Go SEA)

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