UCSF

ZINC34634445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2009 23 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) 2.31 4.34 -47.19 4 5 1 86 335.449 7
Mid Mid (pH 6-8) 2.31 3.31 -13.48 3 5 0 81 334.441 7

Activity (Go SEA)

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