UCSF

ZINC31899132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.05 8.23 -47.92 3 3 1 46 314.449 7
Hi High (pH 8-9.5) 3.05 7.94 -4.27 2 3 0 44 313.441 7

Activity (Go SEA)

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