UCSF

ZINC42781888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.36 6.13 -83.49 4 3 2 35 259.482 12
Mid Mid (pH 6-8) 2.36 8.6 -165.4 5 3 3 37 260.49 12
Mid Mid (pH 6-8) 2.36 6.97 -81.72 4 3 2 35 259.482 12

Activity (Go SEA)

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