UCSF

ZINC39743480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 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) 4.35 9.25 -16.97 1 6 0 81 365.414 7
Hi High (pH 8-9.5) 4.35 9.05 -50.89 0 6 -1 79 364.406 7

Activity (Go SEA)

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