UCSF

ZINC34946756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 2.21 12.62 -13.73 2 10 0 117 501.543 8
Hi High (pH 8-9.5) 2.28 11.08 -59.86 1 10 -1 123 500.535 8

Activity (Go SEA)

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