UCSF

ZINC35851315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 38 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) 3.84 13.66 -47.83 3 10 1 104 522.674 7
Lo Low (pH 4.5-6) 3.84 13.41 -82.94 4 10 2 105 523.682 7

Activity (Go SEA)

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