UCSF

ZINC37099324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.56 7.3 -10.85 1 5 0 56 287.363 5
Lo Low (pH 4.5-6) 2.56 7.43 -38.12 2 5 1 57 288.371 5

Activity (Go SEA)

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