UCSF

ZINC35774487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 1.76 5.76 -13.67 1 7 0 71 387.48 5
Lo Low (pH 4.5-6) 1.76 7.55 -49.28 2 7 1 72 388.488 5

Activity (Go SEA)

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