UCSF

ZINC19201811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 22 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) 6.08 9.61 -8.81 1 3 0 45 393.693 2
Hi High (pH 8-9.5) 6.54 7.59 -43.47 0 3 -1 48 392.685 2
Hi High (pH 8-9.5) 6.54 8.05 -40.46 0 3 -1 48 392.685 2

Activity (Go SEA)

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