UCSF

ZINC29212798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 27 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) 2.76 6.14 -14.75 1 6 0 60 370.449 7
Lo Low (pH 4.5-6) 2.76 8.49 -53.02 2 6 1 61 371.457 7

Activity (Go SEA)

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