UCSF

ZINC20900829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 3.49 8.1 -66.37 1 5 1 54 362.519 4
Mid Mid (pH 6-8) 3.49 5.77 -19.76 0 5 0 53 361.511 4

Activity (Go SEA)

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