UCSF

ZINC01043970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 25 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) 4.16 7.98 -42.8 1 5 -1 86 356.785 4
Mid Mid (pH 6-8) 4.16 7.38 -19.39 2 5 0 83 357.793 4
Mid Mid (pH 6-8) 4.16 7.56 -18.36 2 5 0 83 357.793 4

Activity (Go SEA)

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