UCSF

ZINC15015486

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 6.04 6.51 -8.12 2 4 0 65 409.692 2
Hi High (pH 8-9.5) 6.04 6.86 -34.31 1 4 -1 68 408.684 2
Hi High (pH 8-9.5) 5.55 6.83 -90.61 0 4 -2 67 407.676 3
Hi High (pH 8-9.5) 6.04 7.29 -33.75 1 4 -1 68 408.684 2

Activity (Go SEA)

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