UCSF

ZINC41658174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 3.62 6.4 -9.03 0 5 0 52 416.271 4
Lo Low (pH 4.5-6) 3.62 9.25 -47.69 1 5 1 53 417.279 4

Activity (Go SEA)

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