UCSF

ZINC37200955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.18 2.44 -45.16 2 5 -1 81 286.355 3
Lo Low (pH 4.5-6) 4.18 1.71 -8.05 3 5 0 78 287.363 3

Activity (Go SEA)

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