UCSF

ZINC27846846

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 3.60 10.04 -58.07 1 4 1 40 356.486 2
Hi High (pH 8-9.5) 3.60 9.37 -13.22 0 4 0 39 355.478 2

Activity (Go SEA)

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