UCSF

ZINC00701345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 3.49 8.7 -18.37 0 7 0 64 519.545 8
Mid Mid (pH 6-8) 3.49 10.91 -68.29 1 7 1 65 520.553 8

Activity (Go SEA)

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