UCSF

ZINC36890676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 1.98 5.88 -14.94 1 4 0 47 286.162 4
Lo Low (pH 4.5-6) 1.98 6.31 -37.59 2 4 1 48 287.17 4

Activity (Go SEA)

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