UCSF

ZINC00701398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) 4.52 9.29 -11.14 1 4 0 45 479.955 9
Mid Mid (pH 6-8) 4.52 12.1 -59.31 2 4 1 46 480.963 9

Activity (Go SEA)

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