UCSF

ZINC33722808

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.34 8.31 -104.92 0 8 -2 128 418.336 4
Ref Reference (pH 7) 3.34 8.22 -105.09 0 8 -2 128 418.336 4
Lo Low (pH 4.5-6) 2.89 10.76 -55.61 1 8 -1 125 419.344 4

Activity (Go SEA)

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