UCSF

ZINC20017404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 27 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) 4.78 9.64 -12.62 1 7 0 97 424.265 5
Hi High (pH 8-9.5) 4.85 8.73 -39.05 0 7 -1 103 423.257 5

Activity (Go SEA)

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