UCSF

ZINC04593001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 30 No

Other Names:

MFCD02020331

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) 4.02 12.9 -11.97 0 6 0 81 405.45 6
Ref Reference (pH 7) 4.02 13.13 -13.34 0 6 0 81 405.45 6

Activity (Go SEA)

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