UCSF

ZINC40805350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 27 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) 2.24 7.73 -13.03 1 8 0 98 389.433 4
Mid Mid (pH 6-8) 2.42 4.84 -50.09 0 8 -1 104 388.425 4

Activity (Go SEA)

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