UCSF

ZINC31825156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 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) 3.14 10.31 -54.92 2 6 1 64 380.516 7
Hi High (pH 8-9.5) 3.14 8.13 -10.5 1 6 0 63 379.508 7

Activity (Go SEA)

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