UCSF

ZINC06905273

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 25 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) 3.66 11.18 -33.73 1 4 1 38 332.427 2
Mid Mid (pH 6-8) 3.66 10.89 -13.91 0 4 0 36 331.419 2

Activity (Go SEA)

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