UCSF

ZINC60238660

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 29 Yes

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) 3.70 13.42 -91.46 3 4 2 38 393.575 7
Hi High (pH 8-9.5) 3.70 11.55 -41.32 2 4 1 37 392.567 7
Hi High (pH 8-9.5) 3.70 8.82 -9.67 1 4 0 36 391.559 7
Hi High (pH 8-9.5) 3.70 10.69 -35.8 2 4 1 37 392.567 7

Activity (Go SEA)

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