UCSF

ZINC41543271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 35 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) 2.28 10.82 -75.07 1 10 0 129 479.489 7
Lo Low (pH 4.5-6) 2.28 10.07 -63.81 2 10 1 126 480.497 7

Activity (Go SEA)

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