UCSF

ZINC28739995

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 19 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) 2.26 4.04 -8.49 1 4 0 42 282.771 4
Mid Mid (pH 6-8) 2.26 6.38 -44.51 2 4 1 43 283.779 4

Activity (Go SEA)

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