UCSF

ZINC40094335

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 2.23 5.72 -63.44 1 7 -1 99 428.436 10
Lo Low (pH 4.5-6) 2.23 4.97 -18.27 2 7 0 96 429.444 10

Activity (Go SEA)

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