UCSF

ZINC08322947

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) 4.36 8.27 -13.72 1 3 0 42 332.494 4
Lo Low (pH 4.5-6) 4.36 9.18 -28.76 2 3 1 43 333.502 4

Activity (Go SEA)

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