UCSF

ZINC31995976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.80 3.54 -8.97 3 3 0 59 236.274 1
Hi High (pH 8-9.5) 2.80 4.1 -54.92 2 3 -1 62 235.266 1

Activity (Go SEA)

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