UCSF

ZINC40125170

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 2.47 4.97 -56.06 1 8 -1 106 424.429 9
Lo Low (pH 4.5-6) 2.47 4.21 -17.13 2 8 0 103 425.437 9

Activity (Go SEA)

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