UCSF

ZINC07209228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 24 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) 3.64 5.3 -21.04 2 5 0 71 346.452 5
Hi High (pH 8-9.5) 3.64 4.4 -47.19 1 5 -1 74 345.444 5
Lo Low (pH 4.5-6) 3.64 6.27 -37.03 3 5 1 73 347.46 5

Activity (Go SEA)

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