UCSF

ZINC16713730

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 27 No

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) 3.23 7.65 -15.56 0 6 0 61 390.505 6
Lo Low (pH 4.5-6) 3.23 8.62 -32.74 1 6 1 62 391.513 6

Activity (Go SEA)

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