UCSF

ZINC36881612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.20 3.94 -44.39 0 4 -1 61 283.76 5
Mid Mid (pH 6-8) 2.20 4.37 -20.14 1 4 0 62 284.768 5
Mid Mid (pH 6-8) 2.20 3.82 -13.01 1 4 0 59 284.768 5

Activity (Go SEA)

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