UCSF

ZINC39757301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 1.30 6.75 -14.82 0 8 0 79 406.508 9
Lo Low (pH 4.5-6) 1.30 8.92 -50.89 1 8 1 80 407.516 9

Activity (Go SEA)

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