UCSF

ZINC08426812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 31 No

Other Names:

MFCD02104467

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) 4.12 -1.7 -11.44 0 0 0 83 492.366 7
Mid Mid (pH 6-8) 4.30 -1.64 -12.4 0 7 0 83 492.366 7
Mid Mid (pH 6-8) 4.30 -0.43 -12.12 0 7 0 83 492.366 7
Mid Mid (pH 6-8) 4.12 -1.73 -14.68 0 7 0 83 492.366 7

Activity (Go SEA)

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