UCSF

ZINC06498862

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 31 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) 1.40 7.75 -50.71 3 9 1 117 430.481 8
Mid Mid (pH 6-8) 0.82 8.57 -60.19 2 9 1 114 430.481 8

Activity (Go SEA)

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