UCSF

ZINC33738222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.94 6.94 -53.02 2 8 1 85 474.994 7
Mid Mid (pH 6-8) 3.94 4.58 -13.35 1 8 0 84 473.986 7

Activity (Go SEA)

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