UCSF

ZINC33718042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 15 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) -1.22 2.03 -57.16 3 4 1 61 226.325 3
Hi High (pH 8-9.5) -1.22 1.71 -9.42 2 4 0 59 225.317 3

Activity (Go SEA)

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