UCSF

ZINC31493688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 29 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) 2.69 8.21 -39.43 1 7 1 69 399.515 5
Mid Mid (pH 6-8) 2.69 7.86 -12.98 0 7 0 68 398.507 5

Activity (Go SEA)

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