UCSF

ZINC04155395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) 2.83 -0.02 -27.13 0 8 0 82 491.617 9
Mid Mid (pH 6-8) 2.83 0.26 -54.3 1 8 1 83 492.625 9

Activity (Go SEA)

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