UCSF

ZINC39912493

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 4.74 9.86 -17.75 2 8 0 97 517.557 7
Hi High (pH 8-9.5) 4.51 9.89 -63.8 0 8 -1 96 516.549 7
Hi High (pH 8-9.5) 4.51 9.78 -49.16 0 8 -1 96 516.549 7
Hi High (pH 8-9.5) 4.74 11.19 -43.13 1 8 -1 100 516.549 7

Activity (Go SEA)

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