UCSF

ZINC00269298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 22 No

Other Names:

MFCD02107985

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) 0.94 1.79 -49.23 2 5 1 62 307.345 5
Mid Mid (pH 6-8) 0.94 1.47 -55.7 2 5 1 62 307.345 4
Mid Mid (pH 6-8) 0.36 1.6 -62.25 1 5 1 58 307.345 5

Activity (Go SEA)

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