UCSF

ZINC16805044

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 26 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) 5.11 8.26 -13.71 2 6 0 84 416.275 5
Hi High (pH 8-9.5) 5.11 9.26 -56.44 1 6 -1 87 415.267 5
Hi High (pH 8-9.5) 5.11 9.1 -60.63 1 6 -1 87 415.267 5

Activity (Go SEA)

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