UCSF

ZINC38800447

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 32 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) -0.05 8.92 -13.7 0 9 0 102 438.484 6
Lo Low (pH 4.5-6) -0.05 8.86 -30.35 1 9 1 103 439.492 6

Activity (Go SEA)

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