UCSF

ZINC06195602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 38 No

Other Names:

MFCD02731925

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) 5.24 0.55 -13.39 0 7 0 83 537.678 11
Mid Mid (pH 6-8) 5.24 0.19 -17.47 0 7 0 83 537.678 11
Mid Mid (pH 6-8) 5.43 -0.73 -15.12 0 7 0 83 537.678 11

Activity (Go SEA)

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