UCSF

ZINC31995746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 3.10 4.5 -49.9 4 2 1 48 248.733 3
Hi High (pH 8-9.5) 3.10 5.15 -81.18 3 2 0 51 247.725 3

Activity (Go SEA)

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