UCSF

ZINC20599205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) 3.88 12 -47.32 2 5 1 44 437.652 5
Lo Low (pH 4.5-6) 3.88 12.16 -45.74 2 5 1 44 437.652 5

Activity (Go SEA)

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