UCSF

ZINC04289217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 22 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) 2.08 4.74 -44.66 4 8 1 122 304.282 6
Ref Reference (pH 7) 1.95 4.9 -13.29 3 8 0 123 303.274 5
Hi High (pH 8-9.5) 2.08 5.77 -25.39 3 8 0 125 303.274 6

Activity (Go SEA)

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