UCSF

ZINC20131523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 36 No

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) 4.88 15.14 -72.51 1 6 0 74 484.596 9
Hi High (pH 8-9.5) 4.88 12.6 -59.38 0 6 -1 73 483.588 9

Activity (Go SEA)

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