UCSF

ZINC20590553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 33 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) 2.74 6.3 -56.27 3 8 1 105 453.515 7
Mid Mid (pH 6-8) 2.74 6.76 -35.67 2 8 0 107 452.507 7
Mid Mid (pH 6-8) 2.74 4.43 -47.04 1 8 -1 106 451.499 7

Activity (Go SEA)

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