UCSF

ZINC06621999

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 2.96 8.89 -61.38 0 6 -1 87 376.388 5
Mid Mid (pH 6-8) 2.96 1.93 -12.03 1 6 0 83 377.396 5
Mid Mid (pH 6-8) 2.38 1.82 -19.22 0 6 0 80 377.396 5

Activity (Go SEA)

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