UCSF

ZINC33893515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 24 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) 0.18 -3 -55.72 2 7 -1 108 342.253 4
Lo Low (pH 4.5-6) -0.01 -1.06 -16.84 3 7 0 102 343.261 4

Activity (Go SEA)

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