UCSF

ZINC08322944

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 22 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) 3.96 6.53 -14.46 1 4 0 51 316.426 4
Lo Low (pH 4.5-6) 3.96 7.44 -29.49 2 4 1 52 317.434 4

Activity (Go SEA)

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