UCSF

ZINC41661738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.03 12.19 -13.38 0 5 0 48 454.501 4
Lo Low (pH 4.5-6) 5.03 15.04 -63.7 1 5 1 49 455.509 4

Activity (Go SEA)

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