UCSF

ZINC08435337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 30 No

Other Names:

MFCD01046015

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) 6.02 -0.2 -23.55 1 8 0 120 465.263 5
Mid Mid (pH 6-8) 6.02 -0.04 -54.32 2 8 1 121 466.271 5

Activity (Go SEA)

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