UCSF

ZINC08820843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 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) 5.54 8.97 -18.33 2 6 0 81 466.946 7
Mid Mid (pH 6-8) 5.54 8.51 -44.3 1 6 -1 83 465.938 7

Activity (Go SEA)

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