UCSF

ZINC35478677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 3.28 9.73 -8.48 1 6 0 67 345.406 5
Lo Low (pH 4.5-6) 3.28 10.47 -21.68 2 6 0 68 346.414 5

Activity (Go SEA)

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