UCSF

ZINC08225437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 22 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) 3.23 7.28 -11.09 2 4 0 54 319.405 4
Lo Low (pH 4.5-6) 3.23 7.78 -28.73 3 4 1 55 320.413 4
Lo Low (pH 4.5-6) 3.75 4.69 -28.88 3 4 1 59 320.413 4

Activity (Go SEA)

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