UCSF

ZINC33795808

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 4.45 7.94 -49.79 2 7 1 76 476.985 7
Mid Mid (pH 6-8) 4.45 5.71 -10.43 1 7 0 74 475.977 7

Activity (Go SEA)

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