UCSF

ZINC09123184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 4.36 11.12 -60.73 0 6 -1 79 442.491 9
Mid Mid (pH 6-8) 3.78 11.47 -14.33 0 6 0 73 443.499 9
Mid Mid (pH 6-8) 4.81 11.25 -17.89 1 6 0 76 443.499 8

Activity (Go SEA)

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