UCSF

ZINC31965128

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) 2.61 4.78 -57.29 5 5 1 86 332.811 4
Hi High (pH 8-9.5) 2.61 4.39 -16.24 4 5 0 84 331.803 4

Activity (Go SEA)

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