UCSF

ZINC09177885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 2.67 6.65 -59.87 0 8 -1 95 453.515 9
Mid Mid (pH 6-8) 3.11 9.28 -50.75 2 8 1 94 455.531 8
Mid Mid (pH 6-8) 2.67 8.97 -76.57 1 8 0 96 454.523 9

Activity (Go SEA)

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