UCSF

ZINC33820831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 29 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) 3.07 3.96 -50.38 3 5 -1 101 407.571 5
Lo Low (pH 4.5-6) 3.07 1.98 -11.26 4 5 0 98 408.579 5

Activity (Go SEA)

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