UCSF

ZINC52282090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 27 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) 1.66 3.06 -40.19 1 8 -1 115 363.353 3
Lo Low (pH 4.5-6) 1.20 4.98 -11.02 2 8 0 112 364.361 3

Activity (Go SEA)

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