UCSF

ZINC22622209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 2.73 6.09 -17.46 1 6 0 81 358.401 4
Lo Low (pH 4.5-6) 2.73 6.52 -58.18 2 6 1 82 359.409 4

Activity (Go SEA)

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