UCSF

ZINC33788459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 26 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) 3.62 11.14 -37.6 1 5 1 51 361.554 5
Mid Mid (pH 6-8) 3.62 10.76 -10.66 0 5 0 49 360.546 5

Activity (Go SEA)

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