UCSF

ZINC13133577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.19 6.64 -17.58 0 6 0 76 424.588 7
Mid Mid (pH 6-8) 3.19 8.07 -46.66 1 6 1 78 425.596 7
Mid Mid (pH 6-8) 3.19 7.49 -47.07 1 6 1 78 425.596 7

Activity (Go SEA)

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