UCSF

ZINC33820485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 28 Yes

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) 3.76 9.83 -50.26 2 6 -1 107 395.516 14
Lo Low (pH 4.5-6) 3.76 7.86 -11.78 3 6 0 104 396.524 14

Activity (Go SEA)

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