UCSF

ZINC04067397

Substance Information

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

Other Names:

MFCD01367240

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) 5.07 0.07 -11.99 0 6 0 74 433.504 8
Mid Mid (pH 6-8) 5.07 0.22 -14.87 0 6 0 74 433.504 8
Mid Mid (pH 6-8) 5.25 1.23 -12.39 0 6 0 74 433.504 8
Mid Mid (pH 6-8) 5.25 0.16 -12.7 0 6 0 74 433.504 8

Activity (Go SEA)

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