UCSF

ZINC17071021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 No

Other Names:

MFCD03080604

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) 5.14 9.78 -8.66 0 4 0 44 338.432 3
Ref Reference (pH 7) 5.14 9.45 -8.83 0 4 0 44 338.432 3

Activity (Go SEA)

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