UCSF

ZINC63119844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 19 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) -0.09 4.03 -97.51 4 5 2 53 267.421 5
Hi High (pH 8-9.5) -0.09 3.7 -35.8 3 5 1 52 266.413 5
Lo Low (pH 4.5-6) -0.09 5.87 -188.32 5 5 3 54 268.429 5

Activity (Go SEA)

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