UCSF

ZINC69923021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 1.56 2.39 -14.72 1 5 0 68 281.4 4
Lo Low (pH 4.5-6) 1.56 4.64 -58.89 2 5 1 69 282.408 4

Activity (Go SEA)

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