UCSF

ZINC25862849

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 31 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) 2.87 7.24 -68.46 2 7 1 76 420.537 7
Mid Mid (pH 6-8) 2.87 4.93 -18.43 1 7 0 74 419.529 7

Activity (Go SEA)

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