UCSF

ZINC20310232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 1.26 3.49 -101.21 5 4 2 64 229.368 6
Mid Mid (pH 6-8) 1.26 1.28 -39.56 4 4 1 63 228.36 6
Mid Mid (pH 6-8) 1.26 2.27 -37.97 4 4 1 60 228.36 6

Activity (Go SEA)

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