UCSF

ZINC19680763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 0.76 2.25 -58.86 2 6 0 86 285.369 6
Hi High (pH 8-9.5) 0.76 -0.29 -46.95 1 6 -1 85 284.361 6

Activity (Go SEA)

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