UCSF

ZINC20611477

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) 3.54 6.47 -28.98 4 8 0 120 432.48 3
Hi High (pH 8-9.5) 3.54 5.24 -41.44 3 8 -1 115 431.472 3

Activity (Go SEA)

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