UCSF

ZINC39693980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) 2.10 10.54 -107.17 4 7 2 74 481.685 5
Mid Mid (pH 6-8) 2.10 8.19 -60.76 3 7 1 72 480.677 5

Activity (Go SEA)

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