UCSF

ZINC08779165

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 3.99 0.23 -47.72 2 6 1 71 488.402 8
Mid Mid (pH 6-8) 3.41 0.08 -57.3 1 6 1 68 488.402 8

Activity (Go SEA)

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