UCSF

ZINC06382646

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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) 2.45 8.83 -56.57 0 9 -1 133 407.358 6
Mid Mid (pH 6-8) 2.89 1.36 -30.33 1 9 0 129 408.366 5
Mid Mid (pH 6-8) 1.86 1.6 -20.39 0 9 0 126 408.366 6

Activity (Go SEA)

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