UCSF

ZINC31885281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 No

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) 2.71 6.76 -8.03 0 3 0 27 248.351 4
Hi High (pH 8-9.5) 2.71 7.23 -48.59 0 3 -1 27 247.343 4

Activity (Go SEA)

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