UCSF

ZINC20324496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.72 7.32 -48.99 0 8 -1 107 449.464 6
Lo Low (pH 4.5-6) 3.26 9.1 -15.13 1 8 0 104 450.472 6

Activity (Go SEA)

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