UCSF

ZINC43974280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.23 7.92 -32.18 2 2 1 16 259.417 5
Mid Mid (pH 6-8) 3.23 9.12 -110.12 3 2 2 21 260.425 5
Mid Mid (pH 6-8) 3.23 7.29 -39.2 2 2 1 20 259.417 5

Activity (Go SEA)

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