UCSF

ZINC01270033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 24 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) 0.88 1.72 -52.2 2 8 -1 116 327.32 5
Mid Mid (pH 6-8) 0.42 4.25 -14.28 3 8 0 113 328.328 5

Activity (Go SEA)

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