UCSF

ZINC41543289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 36 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) 4.03 12.43 -72.73 1 7 0 83 490.6 7
Lo Low (pH 4.5-6) 4.03 11.67 -52.86 2 7 1 81 491.608 7

Activity (Go SEA)

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