UCSF

ZINC09375076

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 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) 5.02 11.59 -38.13 0 5 -1 70 440.947 8
Mid Mid (pH 6-8) 5.46 9.69 -27.95 1 5 0 67 441.955 7
Mid Mid (pH 6-8) 4.43 0.51 -21.95 0 5 0 63 441.955 8

Activity (Go SEA)

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