UCSF

ZINC33786761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 2.73 7.99 -17.66 0 8 0 72 451.523 6
Mid Mid (pH 6-8) 2.73 10.28 -59.3 1 8 1 73 452.531 6

Activity (Go SEA)

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