UCSF

ZINC40019341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.01 13.25 -77.09 2 7 0 94 522.686 16
Lo Low (pH 4.5-6) 6.01 12.52 -54.45 3 7 1 92 523.694 16

Activity (Go SEA)

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