UCSF

ZINC39234813

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.02 3.21 -62.07 2 4 1 54 191.21 1
Mid Mid (pH 6-8) -0.02 1.81 -12.72 1 4 0 49 190.202 1

Activity (Go SEA)

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