UCSF

ZINC40018706

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 32 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) 5.45 13.64 -73.17 1 5 0 65 454.636 13
Lo Low (pH 4.5-6) 5.45 12.89 -46.36 2 5 1 62 455.644 13

Activity (Go SEA)

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