UCSF

ZINC65171119

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.89 7.22 -38.15 2 4 1 31 332.512 5
Lo Low (pH 4.5-6) 2.89 9.49 -109.27 3 4 2 32 333.52 5

Activity (Go SEA)

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