UCSF

ZINC41510760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.38 9.07 -35.59 2 4 1 51 311.405 6
Mid Mid (pH 6-8) 4.38 9.65 -22.5 1 4 0 54 310.397 6

Activity (Go SEA)

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