UCSF

ZINC40127341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 5.15 10.4 -57.26 1 5 -1 78 426.492 7
Lo Low (pH 4.5-6) 5.15 9.64 -13.34 2 5 0 76 427.5 7

Activity (Go SEA)

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