UCSF

ZINC36983790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 1.06 4.88 -117.56 0 7 -2 125 324.339 4
Lo Low (pH 4.5-6) 1.06 4.5 -58.37 1 7 -1 123 325.347 4

Activity (Go SEA)

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