UCSF

ZINC31965858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.30 2.51 -58.29 1 7 -1 104 270.29 5
Lo Low (pH 4.5-6) -0.30 1.39 -21.53 2 7 0 101 271.298 5

Activity (Go SEA)

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