UCSF

ZINC20484971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.44 6.12 -48.42 3 2 1 31 334.347 9
Lo Low (pH 4.5-6) 4.44 8.34 -123.21 4 2 2 32 335.355 9

Activity (Go SEA)

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