UCSF

ZINC41663006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 4.40 10.02 -14.29 0 7 0 64 486.568 7
Lo Low (pH 4.5-6) 4.40 13.62 -121.43 2 7 0 67 488.584 7
Lo Low (pH 4.5-6) 4.40 12.86 -59.29 1 7 1 66 487.576 7

Activity (Go SEA)

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