UCSF

ZINC00844272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 30 No

Other Names:

MFCD01367284

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) 6.04 -0.23 -7.64 0 4 0 55 466.375 6
Mid Mid (pH 6-8) 6.22 -0.17 -8.83 0 4 0 55 466.375 6
Mid Mid (pH 6-8) 6.22 1.16 -9.48 0 4 0 55 466.375 6

Activity (Go SEA)

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