UCSF

ZINC03369269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 30 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) 2.78 10.93 -28.49 1 7 0 94 419.462 5
Lo Low (pH 4.5-6) 2.78 11.19 -56.17 2 7 1 96 420.47 5

Activity (Go SEA)

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