UCSF

ZINC09178237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 30 No

Other Names:

MFCD03501498

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) 4.45 10.75 -46.09 2 5 1 62 431.915 7
Mid Mid (pH 6-8) 3.42 1.55 -46.42 1 5 1 58 431.915 8

Activity (Go SEA)

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