UCSF

ZINC20171480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 5.46 11.36 -50.48 0 6 -1 88 445.52 6
Lo Low (pH 4.5-6) 5.00 13.14 -13.74 1 6 0 85 446.528 6

Activity (Go SEA)

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