UCSF

ZINC08464066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 3.31 9.65 -49.88 2 6 1 71 425.48 5
Mid Mid (pH 6-8) 2.28 10.44 -58.68 1 6 1 68 425.48 6

Activity (Go SEA)

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