UCSF

ZINC25189689

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 1.60 8.07 -57.56 2 8 1 100 349.411 6
Hi High (pH 8-9.5) 1.60 5.86 -18.18 1 8 0 98 348.403 6

Activity (Go SEA)

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