UCSF

ZINC36159078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.38 11.44 -57.03 3 5 1 70 438.617 7
Hi High (pH 8-9.5) 4.83 8.91 -55.19 2 5 0 74 437.609 7
Hi High (pH 8-9.5) 4.38 9.38 -14.93 2 5 0 69 437.609 7

Activity (Go SEA)

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