UCSF

ZINC03247593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 25 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) 5.91 10.01 -6.46 1 5 0 65 341.407 9
Lo Low (pH 4.5-6) 3.74 9.08 -35.42 2 5 1 70 342.415 9

Activity (Go SEA)

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