UCSF

ZINC20610876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 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) 3.89 8.36 -28.67 4 7 0 110 416.481 2
Hi High (pH 8-9.5) 3.89 6.91 -40.35 3 7 -1 106 415.473 2

Activity (Go SEA)

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