UCSF

ZINC04003593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 14 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) 3.04 -0.45 -48.56 0 2 -1 36 203.29 0
Lo Low (pH 4.5-6) 3.04 -0.35 -25.56 1 2 0 37 204.298 0

Activity (Go SEA)

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