UCSF

ZINC69514232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 20 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) 2.39 7.05 -56.66 2 5 -1 79 277.344 5
Lo Low (pH 4.5-6) 2.39 6.9 -35.91 3 5 0 80 278.352 5

Activity (Go SEA)

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