UCSF

ZINC39724884

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.41 5.28 -18.25 2 8 0 99 453.289 8
Hi High (pH 8-9.5) 3.41 6.19 -50.85 1 8 -1 101 452.281 8

Activity (Go SEA)

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