UCSF

ZINC51364651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 33 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) 5.86 12.65 -15.27 1 7 0 105 457.873 6
Hi High (pH 8-9.5) 6.04 11.43 -46.56 0 7 -1 112 456.865 6

Activity (Go SEA)

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