UCSF

ZINC33740061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 2.98 10.83 -63.76 0 8 -1 103 463.51 7
Lo Low (pH 4.5-6) 2.98 9.73 -21.06 1 8 0 100 464.518 7

Activity (Go SEA)

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