UCSF

ZINC08892675

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 4.62 12.36 -55.23 0 8 -1 109 521.546 10
Mid Mid (pH 6-8) 5.06 11.23 -24.01 1 8 0 106 522.554 9
Mid Mid (pH 6-8) 4.03 12.52 -13.42 0 8 0 103 522.554 10

Activity (Go SEA)

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