UCSF

ZINC42450812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.71 -0.11 -6.19 3 5 0 71 215.297 4
Mid Mid (pH 6-8) 0.71 1.73 -38.22 4 5 1 72 216.305 4

Activity (Go SEA)

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