UCSF

ZINC33787583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 29 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) 2.21 4.93 -48.72 2 8 1 89 411.511 6
Mid Mid (pH 6-8) 2.21 2.57 -10.64 1 8 0 87 410.503 6

Activity (Go SEA)

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