UCSF

ZINC06299424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 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) 1.78 5.92 -13.82 3 6 0 79 344.371 5
Hi High (pH 8-9.5) 2.23 4.1 -40.87 2 6 -1 82 343.363 5

Activity (Go SEA)

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