UCSF

ZINC35842438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 3.30 10.67 -18.34 1 8 0 88 454.914 6
Mid Mid (pH 6-8) 3.30 10.97 -49.1 2 8 1 89 455.922 6

Activity (Go SEA)

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