UCSF

ZINC31963663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.08 2.5 -65.5 5 7 1 108 335.409 7
Hi High (pH 8-9.5) 0.27 1.34 -68.23 4 7 0 114 334.401 7

Activity (Go SEA)

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