UCSF

ZINC20025656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 20 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) -0.27 7.53 -52.35 2 6 1 60 299.42 6
Hi High (pH 8-9.5) -0.27 5 -8.24 1 6 0 59 298.412 6

Activity (Go SEA)

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