UCSF

ZINC31971385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.20 3.14 -64.98 5 5 1 86 298.794 6
Hi High (pH 8-9.5) 2.20 2.75 -18.7 4 5 0 84 297.786 6

Activity (Go SEA)

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