UCSF

ZINC40053709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 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) 2.58 6.65 -60.65 1 7 -1 99 442.463 9
Lo Low (pH 4.5-6) 2.58 5.88 -18.34 2 7 0 96 443.471 9

Activity (Go SEA)

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