UCSF

ZINC02481529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 4.35 10.46 -57.52 0 6 -1 87 426.876 7
Mid Mid (pH 6-8) 3.77 1.6 -22.88 0 6 0 80 427.884 7
Mid Mid (pH 6-8) 4.79 1.36 -30.66 1 6 0 83 427.884 6

Activity (Go SEA)

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