UCSF

ZINC36232071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.72 6.19 -58.37 0 5 -1 70 268.333 2
Lo Low (pH 4.5-6) 1.72 4.82 -11.22 1 5 0 67 269.341 2

Activity (Go SEA)

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