UCSF

ZINC41584765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 2.71 8.26 -15.33 1 7 0 89 430.46 3
Hi High (pH 8-9.5) 2.71 9.01 -59.82 0 7 -1 92 429.452 3

Activity (Go SEA)

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