UCSF

ZINC09302122

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 25 No

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) 2.40 7.92 -48.35 0 6 -1 83 405.224 6
Mid Mid (pH 6-8) 2.40 7.26 -13.36 1 6 0 80 406.232 6
Mid Mid (pH 6-8) 1.82 7.83 -14.34 0 6 0 77 406.232 6

Activity (Go SEA)

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