UCSF

ZINC48384933

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 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) 2.65 5.66 -17.14 3 7 0 83 370.453 8
Lo Low (pH 4.5-6) 2.65 6.1 -36.6 4 7 0 84 371.461 8

Activity (Go SEA)

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