UCSF

ZINC34959968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 Yes

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) 1.97 12.46 -47.97 4 10 1 123 529.621 9
Hi High (pH 8-9.5) 1.97 10.06 -13.62 3 10 0 122 528.613 9

Activity (Go SEA)

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