UCSF

ZINC19881611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.74 6.77 -45.58 1 6 1 48 331.44 4
Ref Reference (pH 7) 0.74 6.77 -45.61 1 6 1 48 331.44 4
Mid Mid (pH 6-8) 0.74 4.45 -10.55 0 6 0 47 330.432 4
Mid Mid (pH 6-8) 0.74 4.49 -10.81 0 6 0 47 330.432 4

Activity (Go SEA)

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