UCSF

ZINC36891463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 5.31 10.55 -52.15 1 3 -1 52 282.363 5
Lo Low (pH 4.5-6) 5.31 8.54 -6.73 2 3 0 49 283.371 5

Activity (Go SEA)

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