UCSF

ZINC01251297

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 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) 3.33 6.43 -38.55 0 5 -1 70 289.336 5
Hi High (pH 8-9.5) 4.28 4.49 -42.24 0 5 -1 75 289.336 4

Activity (Go SEA)

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