UCSF

ZINC17299669

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 31 No

Other Names:

MFCD01335240

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) 6.10 11.99 -16.54 1 6 0 81 430.485 6
Ref Reference (pH 7) 6.10 12.4 -16.87 1 6 0 81 430.485 6
Ref Reference (pH 7) 5.61 11.82 -49.82 0 6 -1 80 429.477 7

Activity (Go SEA)

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