UCSF

ZINC21175489

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 31 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) 4.82 11.03 -16.21 1 7 0 89 466.979 5
Hi High (pH 8-9.5) 5.28 9.92 -44.93 0 7 -1 92 465.971 5

Activity (Go SEA)

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