UCSF

ZINC41651554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 4.78 10.48 -14.31 0 7 0 64 500.595 7
Lo Low (pH 4.5-6) 4.78 13.35 -57.47 1 7 1 66 501.603 7
Lo Low (pH 4.5-6) 4.78 14.12 -97.72 2 7 0 67 502.611 7

Activity (Go SEA)

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