UCSF

ZINC02585449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 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) 5.34 10.54 -2.16 0 1 0 3 219.372 7
Lo Low (pH 4.5-6) 5.34 10.62 -17.88 1 1 0 4 220.38 7

Activity (Go SEA)

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