UCSF

ZINC61785197

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.03 8.45 -43.57 1 4 1 34 279.404 7
Hi High (pH 8-9.5) 2.03 6.19 -11.43 0 4 0 33 278.396 7

Activity (Go SEA)

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