UCSF

ZINC06239714

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 34 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) 4.15 11.78 -59.65 0 8 -1 115 457.462 8
Mid Mid (pH 6-8) 4.15 1.08 -11.84 1 8 0 112 458.47 8
Mid Mid (pH 6-8) 3.57 0.94 -16.79 0 8 0 109 458.47 8

Activity (Go SEA)

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