UCSF

ZINC08738097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 38 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) 4.79 13.94 -78.92 1 7 0 83 514.622 11
Mid Mid (pH 6-8) 4.20 1.76 -47.58 1 7 1 77 515.63 11

Activity (Go SEA)

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