UCSF

ZINC31898884

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.22 6.65 -52.02 3 3 1 46 292.786 6
Hi High (pH 8-9.5) 2.22 6.35 -4.47 2 3 0 44 291.778 6

Activity (Go SEA)

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