UCSF

ZINC00701748

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 4.57 10.03 -13.83 1 4 0 45 443.563 10
Mid Mid (pH 6-8) 4.57 12.27 -55.96 2 4 1 46 444.571 10

Activity (Go SEA)

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