UCSF

ZINC41588096

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) 6.78 13.26 -8.59 0 4 0 43 453.582 4
Lo Low (pH 4.5-6) 6.78 16.15 -49.4 1 4 1 44 454.59 4

Activity (Go SEA)

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