UCSF

ZINC55009885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 35 No

Other Names:

MFCD01836994

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) 7.31 16.98 -50.99 0 6 -1 84 485.585 6
Ref Reference (pH 7) 7.31 14.46 -51.45 0 6 -1 84 485.585 6
Mid Mid (pH 6-8) 7.31 17.41 -53.39 1 6 0 85 486.593 6

Activity (Go SEA)

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