UCSF

ZINC13512728

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Other Names:

MFCD00616821

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) 4.99 13.79 -15.91 0 6 0 81 506.341 2
Ref Reference (pH 7) 4.99 12.39 -9.06 0 6 0 81 506.341 2
Ref Reference (pH 7) 4.99 12.15 -9.33 0 6 0 81 506.341 2
Ref Reference (pH 7) 4.99 12.55 -11.08 0 6 0 81 506.341 2

Activity (Go SEA)

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