UCSF

ZINC34955867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 No

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) 1.81 0.46 -18.13 3 4 0 76 285.55 2
Lo Low (pH 4.5-6) 1.81 0.37 -7.56 3 4 0 72 285.55 2

Activity (Go SEA)

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