UCSF

ZINC40117947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 3.00 6.74 -50.74 1 8 -1 124 381.364 7
Lo Low (pH 4.5-6) 3.00 5.98 -15.01 2 8 0 121 382.372 7

Activity (Go SEA)

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