UCSF

ZINC04144053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 15 Yes

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) 3.22 5.62 -6.63 1 2 0 29 207.317 2
Lo Low (pH 4.5-6) 3.41 4.82 -26.75 2 2 1 34 208.325 2

Activity (Go SEA)

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