UCSF

ZINC04155476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 3.60 0.24 -12.48 1 7 0 74 434.29 8
Mid Mid (pH 6-8) 3.60 0.42 -36.7 2 7 1 75 435.298 8

Activity (Go SEA)

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