UCSF

ZINC09043334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 32 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) 3.58 10.06 -48.18 2 6 1 71 439.507 6
Mid Mid (pH 6-8) 2.55 10.69 -47.61 1 6 1 68 439.507 7

Activity (Go SEA)

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