UCSF

ZINC05252787

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 24 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) 1.89 -5.42 -14.16 2 7 0 93 348.38 5
Hi High (pH 8-9.5) 1.89 -4.84 -45.61 1 7 -1 95 347.372 5

Activity (Go SEA)

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