UCSF

ZINC08779532

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 35 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) 3.01 8.46 -50.59 2 8 1 90 481.569 10
Mid Mid (pH 6-8) 2.43 9.11 -60.02 1 8 1 87 481.569 10

Activity (Go SEA)

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