UCSF

ZINC04888584

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 3.24 3.8 -13.08 3 6 0 101 341.411 5
Mid Mid (pH 6-8) 3.24 4.84 -55.88 4 6 1 103 342.419 5

Activity (Go SEA)

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