UCSF

ZINC07051596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 2.45 7.43 -14.71 1 6 0 92 327.365 6
Lo Low (pH 4.5-6) 2.45 7.65 -49.92 2 6 1 93 328.373 6

Activity (Go SEA)

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