UCSF

ZINC39754571

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 3.10 9.09 -17.53 1 7 0 81 419.576 7
Lo Low (pH 4.5-6) 3.10 10.23 -38.15 2 7 1 83 420.584 7

Activity (Go SEA)

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