UCSF

ZINC31917113

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) -0.20 3.6 -53.81 3 5 1 66 279.36 5
Hi High (pH 8-9.5) -0.20 3.32 -6.4 2 5 0 65 278.352 5

Activity (Go SEA)

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