UCSF

ZINC44010550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 23 No

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) 3.91 3.52 -11.79 2 5 0 79 373.261 4
Mid Mid (pH 6-8) 3.91 4.29 -41.87 1 5 -1 82 372.253 4

Activity (Go SEA)

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