UCSF

ZINC20160956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.21 15.42 -55.59 2 7 1 78 517.675 9
Hi High (pH 8-9.5) 5.21 13.34 -21.47 1 7 0 76 516.667 9

Activity (Go SEA)

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