UCSF

ZINC05121353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 18 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) 3.41 -4.93 -8.68 1 4 0 59 347.621 3
Hi High (pH 8-9.5) 3.41 -4.42 -34.87 0 4 -1 61 346.613 3

Activity (Go SEA)

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