UCSF

ZINC31555301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 36 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) 7.10 18.14 -35.79 1 4 1 40 486.676 9
Hi High (pH 8-9.5) 7.10 16.73 -6.76 0 4 0 39 485.668 9

Activity (Go SEA)

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