UCSF

ZINC00727555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 No

Other Names:

MFCD00770990

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) 5.99 0.72 -6.92 0 4 0 55 393.527 4
Mid Mid (pH 6-8) 5.99 0.66 -10.31 0 4 0 55 393.527 4
Mid Mid (pH 6-8) 6.17 2.11 -9.11 0 4 0 55 393.527 4
Mid Mid (pH 6-8) 6.17 0.78 -7.85 0 4 0 55 393.527 4

Activity (Go SEA)

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