UCSF

ZINC08738245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 2.26 7.38 -61.81 0 8 -1 97 440.472 10
Mid Mid (pH 6-8) 2.71 5.97 -31.71 1 8 0 95 441.48 9
Mid Mid (pH 6-8) 1.68 6.95 -27.75 0 8 0 91 441.48 10

Activity (Go SEA)

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