UCSF

ZINC33785316

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 3.82 9.78 -18.61 1 7 0 65 490.645 10
Mid Mid (pH 6-8) 3.82 12.13 -45.16 2 7 1 66 491.653 10

Activity (Go SEA)

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