UCSF

ZINC25760780

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 23 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) 4.55 9.44 -11.99 0 3 0 33 344.505 4
Mid Mid (pH 6-8) 4.55 9.83 -36.46 1 3 1 34 345.513 4

Activity (Go SEA)

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