UCSF

ZINC20135198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 2.07 3.51 -10.21 2 4 0 50 245.326 3
Lo Low (pH 4.5-6) 2.07 3.61 -33.71 3 4 1 51 246.334 3

Activity (Go SEA)

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