UCSF

ZINC08384616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 35 No

Other Names:

MFCD03501705

Download: MOL2 SDF SMILES Flexibase

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) 3.43 1.74 -50.83 2 8 1 89 483.585 12
Mid Mid (pH 6-8) 2.85 1.57 -56.85 1 8 1 86 483.585 12

Activity (Go SEA)

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