UCSF

ZINC08440722

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

Other Names:

MFCD00771472

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) 5.36 13.19 -21.57 1 7 0 83 505.611 11
Mid Mid (pH 6-8) 5.47 -0.55 -10.12 0 7 0 83 505.611 11

Activity (Go SEA)

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