UCSF

ZINC35324356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 3.26 9.6 -12.48 1 6 0 65 367.792 2
Lo Low (pH 4.5-6) 3.26 10.05 -48.78 2 6 1 67 368.8 2

Activity (Go SEA)

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