UCSF

ZINC20932130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 2.46 4.74 -49.81 3 5 1 65 332.848 12
Hi High (pH 8-9.5) 2.46 3.24 -10.07 2 5 0 60 331.84 12

Activity (Go SEA)

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