UCSF

ZINC31894587

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 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) 2.35 3.16 -49.94 3 2 1 41 291.137 1
Hi High (pH 8-9.5) 2.35 2.77 -4.85 2 2 0 39 290.129 1

Activity (Go SEA)

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