UCSF

ZINC24974998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 25 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) 0.91 7.69 -59.54 2 7 1 80 347.37 4
Hi High (pH 8-9.5) 0.91 5.46 -20.5 1 7 0 79 346.362 4

Activity (Go SEA)

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