UCSF

ZINC57872071

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 16 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) 2.93 9.05 -47.44 1 2 1 28 221.368 4
Hi High (pH 8-9.5) 2.93 6.71 -4.88 0 2 0 27 220.36 4

Activity (Go SEA)

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