UCSF

ZINC03909280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 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) 4.64 8.43 -11.44 2 7 0 103 338.367 4
Ref Reference (pH 7) 4.46 8.42 -35.18 3 7 1 101 339.375 5
Hi High (pH 8-9.5) 5.10 6.39 -41.01 1 7 -1 106 337.359 4

Activity (Go SEA)

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