UCSF

ZINC36719863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 Yes

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 -2.25 -16.85 3 6 0 106 278.355 5
Mid Mid (pH 6-8) 0.74 -2.07 -43.58 2 6 -1 108 277.347 5

Activity (Go SEA)

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