UCSF

ZINC45686857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.79 7.31 -88.58 3 3 2 24 259.482 12
Mid Mid (pH 6-8) 2.79 9.79 -175.54 4 3 3 25 260.49 12
Mid Mid (pH 6-8) 2.79 7.69 -79.97 3 3 2 24 259.482 12

Activity (Go SEA)

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