UCSF

ZINC41045497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.03 6.28 -41.25 2 3 1 33 224.303 3
Lo Low (pH 4.5-6) 2.03 6.61 -87.07 3 3 2 34 225.311 3

Activity (Go SEA)

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