UCSF

ZINC33775307

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 21 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) 2.30 7.74 -38.03 1 5 1 51 291.419 4
Mid Mid (pH 6-8) 2.30 7.35 -11.16 0 5 0 49 290.411 4

Activity (Go SEA)

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