UCSF

ZINC00726512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 32 No

Other Names:

MFCD00752967

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) 5.03 2.34 -11.08 0 6 0 82 437.536 6
Mid Mid (pH 6-8) 5.03 2.27 -15.83 0 6 0 82 437.536 6
Mid Mid (pH 6-8) 5.22 3.7 -12.81 0 6 0 82 437.536 6
Mid Mid (pH 6-8) 5.22 2.39 -12.75 0 6 0 82 437.536 6

Activity (Go SEA)

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