UCSF

ZINC08440968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Other Names:

MFCD02175352

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) 3.79 -1.87 -17.48 2 7 0 76 531.764 7
Mid Mid (pH 6-8) 3.79 -1.59 -42.33 3 7 1 78 532.772 7

Activity (Go SEA)

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