UCSF

ZINC41656431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.43 9.97 -11.47 0 5 0 56 387.435 5
Lo Low (pH 4.5-6) 4.43 12.81 -50.07 1 5 1 57 388.443 5

Activity (Go SEA)

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