UCSF

ZINC31947265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.98 3.26 -52.01 2 5 1 49 262.333 2
Hi High (pH 8-9.5) 0.98 1.85 -7.41 1 5 0 45 261.325 2

Activity (Go SEA)

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