UCSF

ZINC36156743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 3.45 8.45 -52.9 3 6 1 80 420.599 8
Hi High (pH 8-9.5) 3.91 6.03 -51.48 2 6 0 83 419.591 8
Hi High (pH 8-9.5) 3.45 6.42 -14.46 2 6 0 78 419.591 8

Activity (Go SEA)

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