UCSF

ZINC45569704

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 26 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) 3.61 12.67 -36.28 1 4 1 38 369.51 8
Hi High (pH 8-9.5) 3.61 10.59 -9.73 0 4 0 37 368.502 8

Activity (Go SEA)

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